data_2b0h_residue save_MolProbity _Software.Sf_category software _Software.Sf_framecode MolProbity _Software.Entry_ID ? _Software.ID 1 _Software.Name MolProbity _Software.Version 4.0 _Software.Details . save_ save_CYRANGE _Software.Sf_category software _Software.Sf_framecode CYRANGE _Software.Entry_ID ? _Software.ID 2 _Software.Name CYRANGE _Software.Version 2.0 _Software.Details . save_ save_Structure_validation_residue _Structure_validation_residue.Sf_category structure_validation _Structure_validation_residue.Sf_framecode Structure_validation_residue _Structure_validation_residue.Entry_ID ? _Structure_validation_residue.List_ID 1 _Structure_validation_residue.PDB_accession_code 2b0h _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A 1850 ' ' PHE . . . . . . . . . . . . . 83.7 t80 . . . . . 0 N--CA 1.457 -0.09 0 CA-C-O 120.74 0.305 . . . . 0.0 110.79 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A 1851 ' ' VAL . . . . . . . . . . . . . 23.7 m -57.3 -33.47 43.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.67 -178.609 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1852 ' ' ASP . . . . . . . . . . . . . 27.8 t70 -77.96 -46.57 20.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.539 -0.3 . . . . 0.0 110.488 -179.079 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1853 ' ' TYR . . . . . 0.502 ' O ' HG23 ' A' 1856 ' ' THR . 68.5 m-85 -64.24 -37.16 86.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.428 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1854 ' ' GLN . . . . . 0.966 ' HG3' ' HB3' ' A' 1968 ' ' LEU . 28.7 tt0 -59.81 -61.08 2.88 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.074 174.775 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1855 ' ' THR . . . . . 0.685 ' O ' ' HG2' ' A' 1859 ' ' ARG . 84.8 m -59.61 -39.05 82.97 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.498 -0.773 . . . . 0.0 111.919 -174.811 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1856 ' ' THR . . . . . 0.502 HG23 ' O ' ' A' 1853 ' ' TYR . 10.8 t -63.5 -47.35 82.06 Favored 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 120.983 -0.287 . . . . 0.0 111.558 -175.397 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1857 ' ' MET . . . . . 0.544 ' HB2' HD11 ' A' 1896 ' ' LEU . 21.1 ptm -82.35 -23.34 35.11 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 121.216 -0.194 . . . . 0.0 111.081 -173.189 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1858 ' ' VAL . . . . . 0.666 ' O ' ' HG3' ' A' 1862 ' ' LYS . 18.5 m -69.87 -32.68 52.67 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.21 0 C-N-CA 119.772 -0.771 . . . . 0.0 109.867 174.164 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1859 ' ' ARG . . . . . 0.685 ' HG2' ' O ' ' A' 1855 ' ' THR . 11.8 mmm180 -60.72 -44.41 96.65 Favored 'General case' 0 CA--C 1.519 -0.228 0 N-CA-C 109.476 -0.564 . . . . 0.0 109.476 175.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1860 ' ' THR . . . . . . . . . . . . . 57.8 m -65.82 -40.95 92.33 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.396 -0.82 . . . . 0.0 110.961 177.379 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1861 ' ' ALA . . . . . 0.415 ' HB3' ' HB ' ' A' 1961 ' ' VAL . . . -61.25 -41.62 97.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.864 0.364 . . . . 0.0 110.891 177.917 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1862 ' ' LYS . . . . . 0.666 ' HG3' ' O ' ' A' 1858 ' ' VAL . 78.9 mttt -68.02 -35.79 78.88 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.04 177.284 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1863 ' ' ALA . . . . . . . . . . . . . . . -64.57 -42.63 95.51 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.297 177.57 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1864 ' ' ILE . . . . . 0.597 ' O ' HG12 ' A' 1868 ' ' VAL . 76.3 mt -61.5 -45.88 97.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.198 174.676 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1865 ' ' ALA . . . . . 0.731 ' HB1' HG21 ' A' 1961 ' ' VAL . . . -58.82 -36.15 74.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.041 -0.527 . . . . 0.0 112.094 -178.22 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1866 ' ' VAL . . . . . 0.406 ' HA ' ' HB3' ' A' 1869 ' ' GLN . 12.9 p -81.27 -29.2 10.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 C-N-CA 120.327 -0.549 . . . . 0.0 110.7 179.212 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1867 ' ' THR . . . . . 0.468 ' O ' ' HG3' ' A' 1871 ' ' MET . 74.9 m -65.09 -46.69 80.06 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.812 0.339 . . . . 0.0 110.729 175.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1868 ' ' VAL . . . . . 0.597 HG12 ' O ' ' A' 1864 ' ' ILE . 4.0 m -66.58 -28.67 44.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 121.847 0.832 . . . . 0.0 110.008 178.925 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1869 ' ' GLN . . . . . 0.406 ' HB3' ' HA ' ' A' 1866 ' ' VAL . 1.8 tp-100 -75.94 -28.62 58.03 Favored 'General case' 0 N--CA 1.433 -1.278 0 CA-C-N 114.622 -1.172 . . . . 0.0 109.963 179.51 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1870 ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -74.3 -36.12 63.72 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.146 171.049 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1871 ' ' MET . . . . . 0.468 ' HG3' ' O ' ' A' 1867 ' ' THR . 9.7 mtt -55.28 -45.48 76.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.363 -179.586 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1872 ' ' VAL . . . . . . . . . . . . . 28.8 m -72.97 -29.11 28.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.78 0.324 . . . . 0.0 111.466 179.809 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1873 ' ' THR . . . . . . . . . . . . . 90.1 m -75.62 -48.48 22.01 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.016 0.436 . . . . 0.0 110.694 179.479 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1874 ' ' LYS . . . . . . . . . . . . . 68.8 mmtt -62.64 -41.48 99.06 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.901 -0.59 . . . . 0.0 111.627 -178.792 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1875 ' ' SER . . . . . 0.531 ' HB3' HD11 ' A' 1882 ' ' LEU . 6.1 p -60.96 -6.64 1.94 Allowed 'General case' 0 N--CA 1.465 0.285 0 N-CA-C 113.219 0.822 . . . . 0.0 113.219 -171.91 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1876 ' ' ASN . . . . . . . . . . . . . 56.6 m-80 -69.64 -48.15 60.92 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.725 0.297 . . . . 0.0 110.598 174.57 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1877 ' ' THR . . . . . . . . . . . . . 75.7 p -124.98 -12.13 7.03 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.917 0.389 . . . . 0.0 111.898 -175.366 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1878 ' ' SER . . . . . . . . . . . . . 50.2 m -131.8 99.34 16.88 Favored Pre-proline 0 C--N 1.319 -0.74 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.825 -171.064 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1879 ' ' PRO . . . . . 0.781 ' HA ' HD13 ' A' 1882 ' ' LEU . 28.1 Cg_endo -94.56 -8.19 1.77 Allowed 'Trans proline' 0 N--CA 1.444 -1.393 0 C-N-CA 121.949 1.766 . . . . 0.0 112.631 174.834 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1880 ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -92.19 -30.25 16.03 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.924 0.392 . . . . 0.0 109.947 178.428 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1881 ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -60.62 -17.65 48.34 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-O 121.448 0.642 . . . . 0.0 110.435 173.506 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1882 ' ' LEU . . . . . 0.781 HD13 ' HA ' ' A' 1879 ' ' PRO . 2.9 mt -78.84 -11.96 60.01 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.297 -0.865 . . . . 0.0 111.532 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1883 ' ' GLY . . . . . . . . . . . . . . . -65.49 -60.9 6.13 Favored Glycine 0 N--CA 1.449 -0.45 0 C-N-CA 120.753 -0.737 . . . . 0.0 111.796 175.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1884 ' ' PRO . . . . . . . . . . . . . 13.6 Cg_endo -59.14 -34.74 98.66 Favored 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 122.569 2.179 . . . . 0.0 112.364 174.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1885 ' ' LEU . . . . . . . . . . . . . 59.2 mt -65.29 -41.16 94.43 Favored 'General case' 0 C--N 1.331 -0.196 0 N-CA-C 111.603 0.223 . . . . 0.0 111.603 -179.491 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1886 ' ' ALA . . . . . . . . . . . . . . . -65.27 -42.06 93.59 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.776 0.322 . . . . 0.0 110.34 178.449 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1887 ' ' ASN . . . . . . . . . . . . . 24.8 t30 -63.53 -41.7 98.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.331 0.586 . . . . 0.0 109.941 175.379 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1888 ' ' GLN . . . . . . . . . . . . . 46.1 tp60 -57.99 -51.91 67.7 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.102 -0.953 . . . . 0.0 111.175 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1889 ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -59.47 -45.76 90.71 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.011 -0.54 . . . . 0.0 109.585 178.814 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1890 ' ' THR . . . . . . . . . . . . . 90.5 m -58.48 -42.93 88.64 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.529 -0.76 . . . . 0.0 111.467 179.827 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1891 ' ' SER . . . . . . . . . . . . . 35.5 t -66.75 -54.28 24.5 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.971 -0.558 . . . . 0.0 111.31 -176.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1892 ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -70.1 -30.0 67.1 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 111.956 0.354 . . . . 0.0 111.956 -174.37 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1893 ' ' TYR . . . . . . . . . . . . . 5.8 t80 -56.48 -42.12 77.73 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.879 -0.328 . . . . 0.0 110.278 174.126 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1894 ' ' GLY . . . . . . . . . . . . . . . -59.24 -37.35 91.7 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.995 -0.622 . . . . 0.0 112.104 179.241 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1895 ' ' ARG . . . . . . . . . . . . . 78.9 ttt180 -70.31 -47.18 62.29 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.875 0.369 . . . . 0.0 110.448 178.707 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1896 ' ' LEU . . . . . 0.544 HD11 ' HB2' ' A' 1857 ' ' MET . 47.6 tp -57.07 -50.51 72.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.773 -0.648 . . . . 0.0 110.902 178.696 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1897 ' ' ALA . . . . . . . . . . . . . . . -65.11 -23.92 67.28 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.282 -179.806 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1898 ' ' SER . . . . . . . . . . . . . 9.2 t -79.76 -40.77 28.01 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.884 -0.413 . . . . 0.0 109.884 -176.81 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1899 ' ' GLN . . . . . . . . . . . . . 12.7 mm100 -72.91 -8.79 57.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.753 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1900 ' ' ALA . . . . . . . . . . . . . . . -68.16 -21.62 64.89 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.677 175.068 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1901 ' ' LYS . . . . . 0.501 ' HB3' ' HD3' ' A' 1902 ' ' PRO . 54.2 tptt -75.7 -58.62 1.35 Allowed Pre-proline 0 CA--C 1.541 0.598 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.589 179.389 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1902 ' ' PRO . . . . . 0.501 ' HD3' ' HB3' ' A' 1901 ' ' LYS . 56.8 Cg_endo -70.88 -18.33 31.82 Favored 'Trans proline' 0 C--N 1.355 0.912 0 C-N-CA 121.948 1.766 . . . . 0.0 112.913 -178.148 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1903 ' ' ALA . . . . . . . . . . . . . . . -79.52 -34.4 41.2 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.92 0.39 . . . . 0.0 110.811 178.299 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1904 ' ' ALA . . . . . . . . . . . . . . . -70.1 -35.02 73.86 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.191 0.519 . . . . 0.0 110.441 -176.678 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1905 ' ' VAL . . . . . . . . . . . . . 27.5 m -86.98 -0.3 7.0 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 115.498 -0.774 . . . . 0.0 111.028 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1906 ' ' ALA . . . . . . . . . . . . . . . -106.64 -28.39 10.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.658 177.746 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1907 ' ' ALA . . . . . . . . . . . . . . . -67.99 121.36 15.92 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.567 178.613 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1908 ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -73.89 -21.76 59.97 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.449 -178.648 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1909 ' ' ASN . . . . . . . . . . . . . 24.4 t-20 -95.16 134.8 37.49 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.488 -178.796 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1910 ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -56.04 -53.8 52.58 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.583 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1911 ' ' GLU . . . . . . . . . . . . . 25.6 mt-10 -64.42 -43.28 94.85 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.515 -173.751 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1912 ' ' ILE . . . . . 0.681 ' O ' HG13 ' A' 1916 ' ' ILE . 69.7 mt -55.45 -53.2 38.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 N-CA-C 110.101 -0.333 . . . . 0.0 110.101 177.004 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1913 ' ' GLY . . . . . 0.448 ' HA2' HD13 ' A' 1916 ' ' ILE . . . -63.89 -34.47 90.02 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 121.072 -0.585 . . . . 0.0 112.721 -178.775 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1914 ' ' ALA . . . . . . . . . . . . . . . -72.69 -47.48 46.89 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 122.737 -0.272 . . . . 0.0 110.754 -178.587 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1915 ' ' HIS . . . . . 0.468 ' O ' ' HG2' ' A' 1919 ' ' ARG . 64.2 m-70 -59.26 -33.2 70.75 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.352 -0.386 . . . . 0.0 111.261 -177.74 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1916 ' ' ILE . . . . . 0.681 HG13 ' O ' ' A' 1912 ' ' ILE . 85.4 mt -51.07 -55.7 6.73 Favored 'Isoleucine or valine' 0 C--O 1.233 0.185 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.018 177.8 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1917 ' ' LYS . . . . . 0.416 ' HB2' ' HE2' ' A' 1917 ' ' LYS . 3.8 mppt? -69.4 -34.58 74.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.173 -178.118 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1918 ' ' HIS . . . . . 0.423 ' O ' ' HB3' ' A' 1921 ' ' GLN . 61.4 m-70 -64.91 -43.93 91.22 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 121.096 -0.242 . . . . 0.0 111.531 -178.194 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1919 ' ' ARG . . . . . 0.468 ' HG2' ' O ' ' A' 1915 ' ' HIS . 30.8 mmt180 -70.27 -38.85 75.18 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 120.818 -0.353 . . . . 0.0 111.342 -175.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1920 ' ' VAL . . . . . . . . . . . . . 14.5 m -73.36 -25.25 21.08 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.226 0 CA-C-O 121.197 0.523 . . . . 0.0 110.099 177.83 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1921 ' ' GLN . . . . . 0.423 ' HB3' ' O ' ' A' 1918 ' ' HIS . 33.6 tt0 -64.24 -48.72 74.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.718 -0.673 . . . . 0.0 109.596 173.546 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1922 ' ' GLU . . . . . 0.585 ' CB ' ' HD3' ' A' 1960 ' ' LYS . 47.4 mt-10 -61.87 -46.98 87.07 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.34 -0.845 . . . . 0.0 110.3 176.018 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1923 ' ' LEU . . . . . 0.564 ' HG ' ' HG2' ' A' 1960 ' ' LYS . 18.0 mt -57.74 -36.78 72.53 Favored 'General case' 0 C--O 1.225 -0.203 0 CA-C-N 115.701 -0.682 . . . . 0.0 111.584 -179.395 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1924 ' ' GLY . . . . . . . . . . . . . . . -54.62 -35.67 57.62 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.234 177.766 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1925 ' ' HIS . . . . . . . . . . . . . 21.6 m170 -79.18 -46.54 17.72 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.883 0.373 . . . . 0.0 110.379 178.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1926 ' ' GLY . . . . . . . . . . . . . . . -67.5 -45.27 79.26 Favored Glycine 0 CA--C 1.518 0.26 0 CA-C-N 115.743 -0.662 . . . . 0.0 113.281 -176.276 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1927 ' ' CYS . . . . . . . . . . . . . 83.8 m -63.99 -39.9 95.18 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.733 0.267 . . . . 0.0 110.715 -179.563 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1928 ' ' SER . . . . . . . . . . . . . 47.9 t -64.61 -38.96 92.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.891 0.377 . . . . 0.0 110.166 178.017 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1929 ' ' ALA . . . . . . . . . . . . . . . -64.19 -44.4 92.11 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.435 177.408 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1930 ' ' LEU . . . . . 0.547 ' CD2' ' HG ' ' A' 1950 ' ' LEU . 0.4 OUTLIER -61.08 -54.09 48.97 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.62 -178.99 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A 1931 ' ' VAL . . . . . . . . . . . . . 33.6 m -62.22 -27.65 42.99 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.172 0 N-CA-C 111.586 0.217 . . . . 0.0 111.586 -176.115 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1932 ' ' THR . . . . . . . . . . . . . 81.8 m -68.04 -45.96 72.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.91 0.386 . . . . 0.0 110.159 176.238 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1933 ' ' LYS . . . . . . . . . . . . . 30.8 mmtp -69.97 -34.88 73.95 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.367 179.825 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1934 ' ' ALA . . . . . . . . . . . . . . . -61.84 -43.01 99.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.446 175.401 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1935 ' ' GLY . . . . . . . . . . . . . . . -70.2 -28.48 71.45 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 121.101 -0.571 . . . . 0.0 112.252 178.663 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1936 ' ' ALA . . . . . . . . . . . . . . . -73.36 -44.57 58.41 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.648 0.261 . . . . 0.0 110.806 179.784 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1937 ' ' LEU . . . . . 0.433 ' N ' HG23 ' A' 1946 ' ' THR . 20.9 tp -68.59 -29.28 67.77 Favored 'General case' 0 CA--C 1.514 -0.412 0 CA-C-O 121.602 0.715 . . . . 0.0 109.416 177.173 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1938 ' ' GLN . . . . . . . . . . . . . 8.0 tt0 -61.13 -29.05 69.54 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 114.626 -1.17 . . . . 0.0 109.996 176.409 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1939 ' ' CYS . . . . . . . . . . . . . 58.6 m -86.42 -45.91 10.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.679 176.283 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1940 ' ' SER . . . . . . . . . . . . . 75.0 m -123.89 90.66 50.46 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.508 -0.315 . . . . 0.0 111.629 -178.752 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1941 ' ' PRO . . . . . 0.489 ' HB3' ' HG3' ' A' 1879 ' ' PRO . 59.4 Cg_endo -74.61 -14.3 22.16 Favored 'Trans proline' 0 C--N 1.342 0.229 0 C-N-CA 122.52 2.147 . . . . 0.0 112.695 179.39 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1942 ' ' SER . . . . . . . . . . . . . 22.6 t -81.78 -12.19 58.66 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.725 -178.194 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1943 ' ' ASP . . . . . . . . . . . . . 19.1 t70 -89.49 116.31 27.56 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 110.03 -0.359 . . . . 0.0 110.03 -179.436 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1944 ' ' VAL . . . . . . . . . . . . . 10.9 p -75.82 -35.03 29.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.462 -175.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1945 ' ' TYR . . . . . . . . . . . . . 59.6 m-85 -65.01 -40.42 94.87 Favored 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 111.489 0.181 . . . . 0.0 111.489 -175.859 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1946 ' ' THR . . . . . 0.433 HG23 ' N ' ' A' 1937 ' ' LEU . 63.6 m -56.44 -41.8 77.04 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.244 0.545 . . . . 0.0 110.415 175.454 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1947 ' ' LYS . . . . . 0.425 ' HB3' ' HE2' ' A' 1947 ' ' LYS . 26.2 ttpt -71.69 -40.99 69.18 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.284 179.664 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1948 ' ' LYS . . . . . 0.484 ' O ' ' HG2' ' A' 1952 ' ' GLU . 9.0 mmpt? -54.05 -46.81 72.02 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.06 178.204 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1949 ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 -51.26 -49.65 60.76 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.431 -0.804 . . . . 0.0 110.997 177.507 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1950 ' ' LEU . . . . . 0.547 ' HG ' ' CD2' ' A' 1930 ' ' LEU . 8.9 tt -61.33 -45.37 94.69 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.682 -179.253 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1951 ' ' ILE . . . . . . . . . . . . . 1.7 mp -59.99 -45.56 95.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.851 179.386 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1952 ' ' GLU . . . . . 0.484 ' HG2' ' O ' ' A' 1948 ' ' LYS . 61.9 mm-40 -65.13 -33.21 75.48 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.067 0.461 . . . . 0.0 110.525 179.294 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1953 ' ' CYS . . . . . . . . . . . . . 66.4 m -75.7 -46.28 32.05 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.902 -0.59 . . . . 0.0 112.245 -177.115 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1954 ' ' ALA . . . . . . . . . . . . . . . -59.73 -44.83 93.6 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 112.1 0.407 . . . . 0.0 112.1 -174.604 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1955 ' ' ARG . . . . . . . . . . . . . 5.6 ptp180 -61.68 -31.6 71.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.898 0.38 . . . . 0.0 110.823 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1956 ' ' ARG . . . . . . . . . . . . . 42.4 mtp180 -78.04 -43.73 28.51 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.062 -177.378 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1957 ' ' VAL . . . . . 0.56 ' O ' HG12 ' A' 1961 ' ' VAL . 11.1 m -70.23 -30.25 42.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 C-N-CA 120.334 -0.546 . . . . 0.0 110.504 -179.145 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1958 ' ' SER . . . . . . . . . . . . . 46.2 t -64.71 -24.7 67.65 Favored 'General case' 0 CA--C 1.53 0.19 0 CA-C-O 121.014 0.435 . . . . 0.0 109.971 175.211 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1959 ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -81.26 -41.2 22.56 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.225 0.536 . . . . 0.0 110.273 172.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1960 ' ' LYS . . . . . 0.585 ' HD3' ' CB ' ' A' 1922 ' ' GLU . 18.7 ttmm -65.42 -34.78 79.09 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.574 -178.052 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1961 ' ' VAL . . . . . 0.731 HG21 ' HB1' ' A' 1865 ' ' ALA . 20.8 m -68.67 -33.58 60.45 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.114 0 CA-C-O 121.173 0.511 . . . . 0.0 110.027 173.676 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1962 ' ' SER . . . . . 0.527 ' HA ' HD12 ' A' 1965 ' ' LEU . 36.8 t -67.62 -24.2 65.45 Favored 'General case' 0 N--CA 1.451 -0.382 0 CA-C-N 115.666 -0.697 . . . . 0.0 109.93 178.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1963 ' ' HIS . . . . . . . . . . . . . 59.4 m170 -75.53 -24.62 56.77 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.32 179.626 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1964 ' ' VAL . . . . . 0.469 HG13 HD12 ' A' 1896 ' ' LEU . 85.3 t -70.12 -43.89 78.59 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.258 0 N-CA-C 108.671 -0.863 . . . . 0.0 108.671 169.519 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1965 ' ' LEU . . . . . 0.527 HD12 ' HA ' ' A' 1962 ' ' SER . 26.5 mt -57.62 -48.04 80.52 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.137 -0.938 . . . . 0.0 110.201 177.656 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1966 ' ' ALA . . . . . . . . . . . . . . . -68.89 -45.1 71.8 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.577 -0.738 . . . . 0.0 112.088 -177.214 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1967 ' ' ALA . . . . . . . . . . . . . . . -57.88 -47.59 82.33 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-O 121.189 0.519 . . . . 0.0 110.933 -179.571 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1968 ' ' LEU . . . . . 0.966 ' HB3' ' HG3' ' A' 1854 ' ' GLN . 5.2 mp -64.02 -45.23 89.85 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.356 -0.838 . . . . 0.0 111.407 -179.469 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1969 ' ' GLN . . . . . . . . . . . . . 48.6 mt-30 . . . . . 0 C--N 1.325 -0.473 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.649 -175.207 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A 1850 ' ' PHE . . . . . . . . . . . . . 91.2 t80 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 121.152 0.501 . . . . 0.0 110.364 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A 1851 ' ' VAL . . . . . . . . . . . . . 15.1 m -59.81 -30.75 45.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.519 -0.764 . . . . 0.0 111.79 -178.462 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1852 ' ' ASP . . . . . . . . . . . . . 25.5 t70 -80.05 -41.95 24.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.925 0.393 . . . . 0.0 110.333 -177.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1853 ' ' TYR . . . . . 0.454 ' O ' HG21 ' A' 1856 ' ' THR . 47.8 m-85 -67.34 -29.81 69.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.31 0.576 . . . . 0.0 109.964 178.083 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1854 ' ' GLN . . . . . 0.909 ' HG3' ' HB3' ' A' 1968 ' ' LEU . 31.8 tt0 -62.21 -59.89 4.38 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.454 -0.794 . . . . 0.0 110.129 172.824 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1855 ' ' THR . . . . . 0.469 ' O ' ' HG2' ' A' 1859 ' ' ARG . 25.1 m -60.71 -32.85 72.08 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.479 -0.782 . . . . 0.0 112.607 -173.494 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1856 ' ' THR . . . . . 0.554 HG23 ' N ' ' A' 1857 ' ' MET . 11.8 t -65.91 -50.35 64.77 Favored 'General case' 0 CA--C 1.538 0.506 0 N-CA-C 112.216 0.451 . . . . 0.0 112.216 -174.162 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1857 ' ' MET . . . . . 0.706 ' SD ' HD22 ' A' 1968 ' ' LEU . 7.0 ptp -82.89 -25.13 32.78 Favored 'General case' 0 C--N 1.328 -0.334 0 O-C-N 121.961 -0.462 . . . . 0.0 112.149 -173.694 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1858 ' ' VAL . . . . . 0.53 HG13 ' O ' ' A' 1854 ' ' GLN . 28.2 m -64.96 -29.77 48.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 C-N-CA 120.195 -0.602 . . . . 0.0 110.011 178.923 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1859 ' ' ARG . . . . . 0.469 ' HG2' ' O ' ' A' 1855 ' ' THR . 41.2 mmm-85 -63.12 -47.11 84.18 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.248 0.547 . . . . 0.0 109.622 174.163 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1860 ' ' THR . . . . . 0.424 ' O ' HG13 ' A' 1864 ' ' ILE . 89.6 m -60.76 -43.75 97.61 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-N 115.272 -0.876 . . . . 0.0 111.208 177.643 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1861 ' ' ALA . . . . . . . . . . . . . . . -57.86 -43.18 85.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.87 0.367 . . . . 0.0 110.965 179.406 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1862 ' ' LYS . . . . . 0.456 ' HG3' ' O ' ' A' 1858 ' ' VAL . 57.6 mttm -63.88 -42.22 97.54 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.288 177.13 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1863 ' ' ALA . . . . . . . . . . . . . . . -65.23 -41.97 93.85 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.723 -0.671 . . . . 0.0 111.029 179.26 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1864 ' ' ILE . . . . . 0.424 HG13 ' O ' ' A' 1860 ' ' THR . 68.9 mt -61.42 -44.15 98.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 N-CA-C 110.123 -0.325 . . . . 0.0 110.123 177.192 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1865 ' ' ALA . . . . . 0.727 ' HB2' HG21 ' A' 1961 ' ' VAL . . . -57.51 -45.22 85.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.813 -179.822 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1866 ' ' VAL . . . . . 0.405 ' HA ' ' HG2' ' A' 1869 ' ' GLN . 13.0 p -73.37 -32.49 37.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 C-N-CA 120.487 -0.485 . . . . 0.0 110.467 -179.532 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1867 ' ' THR . . . . . . . . . . . . . 84.5 m -68.52 -46.56 69.26 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.741 0.305 . . . . 0.0 110.727 178.495 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1868 ' ' VAL . . . . . 0.424 HG13 HD12 ' A' 1889 ' ' LEU . 32.6 m -67.17 -35.26 73.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.475 -0.329 . . . . 0.0 110.723 -179.78 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1869 ' ' GLN . . . . . 0.523 ' O ' HG22 ' A' 1872 ' ' VAL . 1.8 pt20 -73.89 -30.08 62.42 Favored 'General case' 0 N--CA 1.452 -0.349 0 C-N-CA 120.473 -0.491 . . . . 0.0 109.737 179.045 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1870 ' ' GLU . . . . . 0.548 ' O ' ' HG2' ' A' 1874 ' ' LYS . 27.0 mt-10 -62.68 -41.55 99.16 Favored 'General case' 0 C--O 1.219 -0.546 0 N-CA-C 109.778 -0.452 . . . . 0.0 109.778 172.151 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1871 ' ' MET . . . . . 0.442 ' HB3' HD23 ' A' 1950 ' ' LEU . 7.6 mtt -55.11 -44.47 75.01 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.076 178.856 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1872 ' ' VAL . . . . . 0.968 ' HB ' HG13 ' A' 1951 ' ' ILE . 1.3 m -75.06 -29.12 21.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 121.294 0.569 . . . . 0.0 110.789 -179.369 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1873 ' ' THR . . . . . . . . . . . . . 91.7 m -79.07 -44.46 22.09 Favored 'General case' 0 N--CA 1.441 -0.924 0 CA-C-N 115.508 -0.769 . . . . 0.0 111.207 -177.706 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1874 ' ' LYS . . . . . 0.548 ' HG2' ' O ' ' A' 1870 ' ' GLU . 31.5 mmtp -67.24 -40.25 86.29 Favored 'General case' 0 C--O 1.219 -0.506 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.613 -178.912 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1875 ' ' SER . . . . . 0.602 ' HB3' HD12 ' A' 1882 ' ' LEU . 6.1 p -58.0 -14.86 7.29 Favored 'General case' 0 N--CA 1.466 0.326 0 N-CA-C 113.168 0.803 . . . . 0.0 113.168 -172.439 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1876 ' ' ASN . . . . . . . . . . . . . 62.4 m-80 -63.87 -42.88 97.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.81 0.338 . . . . 0.0 110.494 176.149 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1877 ' ' THR . . . . . . . . . . . . . 27.4 p -122.83 -30.15 3.87 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.133 0.492 . . . . 0.0 112.088 -177.023 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1878 ' ' SER . . . . . . . . . . . . . 75.4 m -120.7 103.18 43.88 Favored Pre-proline 0 C--N 1.32 -0.706 0 CA-C-N 115.708 -0.678 . . . . 0.0 112.093 -169.122 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1879 ' ' PRO . . . . . 0.796 ' HA ' HD11 ' A' 1882 ' ' LEU . 21.9 Cg_endo -92.66 -7.72 2.73 Favored 'Trans proline' 0 N--CA 1.445 -1.382 0 C-N-CA 121.862 1.708 . . . . 0.0 111.182 171.521 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1880 ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 -72.36 -42.67 65.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.188 -0.915 . . . . 0.0 110.266 178.063 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1881 ' ' GLU . . . . . . . . . . . . . 54.3 mm-40 -63.57 -14.59 52.89 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.391 -0.822 . . . . 0.0 111.387 -179.486 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1882 ' ' LEU . . . . . 0.796 HD11 ' HA ' ' A' 1879 ' ' PRO . 3.1 mt -80.85 -9.01 59.86 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.711 -0.677 . . . . 0.0 112.33 -171.477 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1883 ' ' GLY . . . . . . . . . . . . . . . -76.09 -60.24 3.16 Favored Glycine 0 N--CA 1.448 -0.524 0 C-N-CA 120.52 -0.847 . . . . 0.0 111.434 175.06 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1884 ' ' PRO . . . . . . . . . . . . . 45.0 Cg_exo -57.32 -40.92 78.22 Favored 'Trans proline' 0 C--N 1.349 0.571 0 C-N-CA 122.759 2.306 . . . . 0.0 112.36 176.078 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1885 ' ' LEU . . . . . . . . . . . . . 56.5 mt -60.43 -37.79 82.04 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-O 120.592 0.234 . . . . 0.0 111.396 -179.465 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1886 ' ' ALA . . . . . . . . . . . . . . . -63.48 -50.32 70.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.973 0.416 . . . . 0.0 110.52 178.7 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1887 ' ' ASN . . . . . . . . . . . . . 56.8 t30 -63.17 -40.43 97.51 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.374 178.713 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1888 ' ' GLN . . . . . . . . . . . . . 28.6 tp60 -61.14 -48.63 80.72 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.277 -179.518 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1889 ' ' LEU . . . . . 0.424 HD12 HG13 ' A' 1868 ' ' VAL . 0.9 OUTLIER -55.81 -48.03 76.12 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 108.878 -0.786 . . . . 0.0 108.878 177.288 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A 1890 ' ' THR . . . . . . . . . . . . . 24.8 m -58.97 -42.22 89.4 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 114.814 -1.085 . . . . 0.0 111.293 -179.318 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1891 ' ' SER . . . . . . . . . . . . . 62.6 m -63.72 -49.18 74.09 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.786 -178.447 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1892 ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -68.56 -33.9 74.9 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 121.001 -0.28 . . . . 0.0 111.23 -177.804 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1893 ' ' TYR . . . . . . . . . . . . . 47.5 t80 -58.91 -33.99 71.18 Favored 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 121.065 -0.254 . . . . 0.0 110.641 177.538 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1894 ' ' GLY . . . . . . . . . . . . . . . -55.84 -38.89 75.69 Favored Glycine 0 C--N 1.332 0.309 0 C-N-CA 120.983 -0.627 . . . . 0.0 111.883 176.648 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1895 ' ' ARG . . . . . 0.463 ' O ' ' HG2' ' A' 1899 ' ' GLN . 75.2 mtp180 -66.93 -53.51 31.19 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.046 0.45 . . . . 0.0 110.053 176.571 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1896 ' ' LEU . . . . . 0.423 HD12 ' HB2' ' A' 1857 ' ' MET . 63.7 tp -52.56 -49.55 64.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.231 -0.895 . . . . 0.0 111.542 -177.907 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1897 ' ' ALA . . . . . . . . . . . . . . . -65.94 -29.82 70.29 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.647 -177.028 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1898 ' ' SER . . . . . . . . . . . . . 42.1 m -81.02 -32.5 34.14 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.759 0.314 . . . . 0.0 110.756 -176.246 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1899 ' ' GLN . . . . . 0.463 ' HG2' ' O ' ' A' 1895 ' ' ARG . 83.5 mm-40 -78.66 -10.4 59.74 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.62 -178.87 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1900 ' ' ALA . . . . . . . . . . . . . . . -70.66 -26.94 63.67 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.764 178.701 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1901 ' ' LYS . . . . . 0.411 ' HB3' ' HD3' ' A' 1902 ' ' PRO . 86.9 tttt -71.3 -57.74 4.38 Favored Pre-proline 0 CA--C 1.538 0.498 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.427 -179.37 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1902 ' ' PRO . . . . . 0.496 ' HA ' HG23 ' A' 1905 ' ' VAL . 36.6 Cg_endo -65.67 -22.47 57.59 Favored 'Trans proline' 0 C--N 1.356 0.957 0 C-N-CA 121.984 1.789 . . . . 0.0 112.485 -179.747 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1903 ' ' ALA . . . . . . . . . . . . . . . -73.56 -31.41 63.62 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.91 0.386 . . . . 0.0 110.441 177.035 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1904 ' ' ALA . . . . . . . . . . . . . . . -77.5 -34.1 54.26 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.608 -178.709 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1905 ' ' VAL . . . . . 0.496 HG23 ' HA ' ' A' 1902 ' ' PRO . 22.3 m -80.54 -12.1 12.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.039 -179.636 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1906 ' ' ALA . . . . . . . . . . . . . . . -106.27 6.0 30.28 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.039 0.447 . . . . 0.0 110.281 176.204 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1907 ' ' ALA . . . . . . . . . . . . . . . -81.91 131.72 35.26 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.885 -179.385 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1908 ' ' GLU . . . . . . . . . . . . . 35.9 mm-40 -80.35 -30.94 38.03 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.96 -178.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1909 ' ' ASN . . . . . 0.694 ' HB2' HG13 ' A' 1912 ' ' ILE . 91.5 m-20 -112.71 156.15 23.28 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.53 -0.305 . . . . 0.0 110.863 -176.764 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1910 ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -50.49 -53.33 30.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.334 -0.848 . . . . 0.0 110.917 178.085 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1911 ' ' GLU . . . . . 0.489 ' HB3' ' CD2' ' A' 1915 ' ' HIS . 1.3 mm-40 -75.39 -29.0 59.68 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 114.516 -1.22 . . . . 0.0 113.009 -170.419 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1912 ' ' ILE . . . . . 0.694 HG13 ' HB2' ' A' 1909 ' ' ASN . 58.0 mt -55.05 -53.39 34.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 C-N-CA 120.665 -0.414 . . . . 0.0 110.122 -179.563 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1913 ' ' GLY . . . . . . . . . . . . . . . -71.53 -33.37 63.94 Favored Glycine 0 N--CA 1.447 -0.602 0 C-N-CA 120.612 -0.804 . . . . 0.0 112.125 179.053 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1914 ' ' ALA . . . . . . . . . . . . . . . -69.03 -44.49 72.61 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.525 0.202 . . . . 0.0 110.79 -176.369 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1915 ' ' HIS . . . . . 0.515 ' O ' ' HG2' ' A' 1919 ' ' ARG . 63.4 m-70 -59.73 -45.4 92.29 Favored 'General case' 0 CA--C 1.519 -0.232 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.726 -179.406 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1916 ' ' ILE . . . . . 0.465 HG13 ' O ' ' A' 1912 ' ' ILE . 82.5 mt -54.08 -58.99 2.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.608 178.213 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1917 ' ' LYS . . . . . 0.502 ' O ' ' HG2' ' A' 1921 ' ' GLN . 21.5 mtpp -60.78 -33.39 72.89 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.353 -0.84 . . . . 0.0 111.641 -177.78 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1918 ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -71.58 -43.92 65.41 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.341 -178.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1919 ' ' ARG . . . . . 0.515 ' HG2' ' O ' ' A' 1915 ' ' HIS . 0.8 OUTLIER -73.56 -35.88 65.53 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.567 -0.288 . . . . 0.0 111.288 -176.279 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A 1920 ' ' VAL . . . . . . . . . . . . . 31.4 m -68.23 -29.71 45.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.799 0.333 . . . . 0.0 110.464 177.518 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1921 ' ' GLN . . . . . 0.502 ' HG2' ' O ' ' A' 1917 ' ' LYS . 12.3 mm100 -67.84 -41.66 82.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.871 0.367 . . . . 0.0 110.346 175.771 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1922 ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -67.69 -37.54 82.44 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.555 177.412 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1923 ' ' LEU . . . . . . . . . . . . . 33.0 mt -64.74 -31.1 72.17 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.523 174.204 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1924 ' ' GLY . . . . . . . . . . . . . . . -64.38 -45.35 93.57 Favored Glycine 0 N--CA 1.449 -0.485 0 C-N-CA 120.987 -0.625 . . . . 0.0 111.648 174.704 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1925 ' ' HIS . . . . . . . . . . . . . 29.2 m170 -64.17 -39.83 94.83 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.128 0.489 . . . . 0.0 109.846 176.436 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1926 ' ' GLY . . . . . . . . . . . . . . . -66.35 -52.55 34.86 Favored Glycine 0 N--CA 1.447 -0.583 0 CA-C-N 115.332 -0.849 . . . . 0.0 113.24 -178.822 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1927 ' ' CYS . . . . . . . . . . . . . 22.6 p -62.45 -40.25 96.01 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 117.127 0.463 . . . . 0.0 111.053 -177.221 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1928 ' ' SER . . . . . . . . . . . . . 37.5 t -58.87 -44.07 90.99 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-O 120.779 0.323 . . . . 0.0 110.684 178.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1929 ' ' ALA . . . . . . . . . . . . . . . -70.51 -40.77 73.33 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.879 0.371 . . . . 0.0 110.439 178.066 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1930 ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -61.73 -53.55 54.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.986 -178.305 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1931 ' ' VAL . . . . . . . . . . . . . 30.0 m -63.16 -29.5 47.39 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.171 0 CA-C-O 120.679 0.276 . . . . 0.0 111.017 -176.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1932 ' ' THR . . . . . . . . . . . . . 87.0 m -68.54 -44.99 73.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.444 176.484 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1933 ' ' LYS . . . . . . . . . . . . . 73.1 mmtt -67.77 -34.36 76.64 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.462 177.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1934 ' ' ALA . . . . . 0.467 ' HA ' HD13 ' A' 1950 ' ' LEU . . . -59.83 -48.92 79.74 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.343 175.934 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1935 ' ' GLY . . . . . . . . . . . . . . . -68.0 -41.15 88.21 Favored Glycine 0 N--CA 1.449 -0.494 0 C-N-CA 120.999 -0.619 . . . . 0.0 112.027 177.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1936 ' ' ALA . . . . . . . . . . . . . . . -61.62 -41.23 97.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.574 0.226 . . . . 0.0 111.287 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1937 ' ' LEU . . . . . 0.46 ' HB2' HG23 ' A' 1946 ' ' THR . 34.2 tp -70.6 -34.9 72.67 Favored 'General case' 0 CA--C 1.511 -0.539 0 CA-C-O 121.035 0.445 . . . . 0.0 110.211 177.585 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1938 ' ' GLN . . . . . . . . . . . . . 37.5 tt0 -65.21 -26.89 68.33 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.159 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1939 ' ' CYS . . . . . . . . . . . . . 76.1 m -78.5 -13.81 59.66 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.376 176.472 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1940 ' ' SER . . . . . . . . . . . . . 69.3 m -159.27 84.5 2.32 Favored Pre-proline 0 N--CA 1.465 0.312 0 CA-C-O 120.723 0.297 . . . . 0.0 110.737 -179.29 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1941 ' ' PRO . . . . . 0.601 ' HB3' ' HG3' ' A' 1879 ' ' PRO . 55.7 Cg_endo -71.09 -18.97 30.46 Favored 'Trans proline' 0 C--N 1.343 0.265 0 C-N-CA 122.753 2.302 . . . . 0.0 113.319 -174.3 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1942 ' ' SER . . . . . . . . . . . . . 4.0 p -79.92 -23.59 41.65 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.755 -177.041 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1943 ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -77.06 111.12 12.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.117 0.484 . . . . 0.0 110.548 -179.12 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1944 ' ' VAL . . . . . 0.432 ' O ' ' HG3' ' A' 1948 ' ' LYS . 14.6 p -71.05 -32.6 48.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.508 -175.406 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1945 ' ' TYR . . . . . . . . . . . . . 97.8 m-85 -60.87 -48.02 83.74 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.505 -0.316 . . . . 0.0 111.545 -174.826 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1946 ' ' THR . . . . . 0.46 HG23 ' HB2' ' A' 1937 ' ' LEU . 95.9 m -59.89 -37.44 79.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.078 0.466 . . . . 0.0 110.662 177.51 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1947 ' ' LYS . . . . . 0.4 ' HB3' ' HE2' ' A' 1947 ' ' LYS . 31.6 ttpt -61.52 -48.31 81.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.588 -179.67 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1948 ' ' LYS . . . . . 0.432 ' HG3' ' O ' ' A' 1944 ' ' VAL . 13.4 mtpt -63.62 -37.88 89.01 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.115 -173.226 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1949 ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -63.47 -31.96 73.26 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.022 0.439 . . . . 0.0 110.527 178.665 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1950 ' ' LEU . . . . . 0.569 HD11 HD22 ' A' 1882 ' ' LEU . 8.6 tt -66.11 -52.08 51.96 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.776 -0.647 . . . . 0.0 109.628 176.935 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1951 ' ' ILE . . . . . 0.968 HG13 ' HB ' ' A' 1872 ' ' VAL . 1.9 mp -57.97 -45.6 87.86 Favored 'Isoleucine or valine' 0 C--O 1.235 0.324 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.085 177.244 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1952 ' ' GLU . . . . . 0.491 ' O ' ' HG3' ' A' 1956 ' ' ARG . 51.9 mm-40 -59.47 -36.86 76.78 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.719 -0.673 . . . . 0.0 112.135 -179.162 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1953 ' ' CYS . . . . . 0.412 ' O ' HG11 ' A' 1957 ' ' VAL . 39.6 t -75.69 -46.28 32.11 Favored 'General case' 0 C--N 1.319 -0.745 0 C-N-CA 120.715 -0.394 . . . . 0.0 110.791 -178.295 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1954 ' ' ALA . . . . . 0.485 ' HB1' ' CG1' ' A' 1872 ' ' VAL . . . -62.64 -40.94 98.59 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 111.967 0.358 . . . . 0.0 111.967 -175.926 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1955 ' ' ARG . . . . . . . . . . . . . 5.7 ptm180 -63.31 -29.7 70.97 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.101 0.476 . . . . 0.0 110.72 179.203 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1956 ' ' ARG . . . . . 0.491 ' HG3' ' O ' ' A' 1952 ' ' GLU . 54.4 mtt-85 -82.1 -35.06 28.99 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.114 -177.632 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1957 ' ' VAL . . . . . 0.51 ' O ' HG11 ' A' 1961 ' ' VAL . 8.6 m -80.26 -28.94 12.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 C-N-CA 120.899 -0.32 . . . . 0.0 111.146 -179.462 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1958 ' ' SER . . . . . 0.612 ' O ' HG23 ' A' 1961 ' ' VAL . 12.4 p -65.72 -24.32 66.95 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 121.188 0.518 . . . . 0.0 110.337 178.141 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1959 ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -74.21 -39.68 62.95 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.058 171.455 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1960 ' ' LYS . . . . . 0.435 ' HG3' ' O ' ' A' 1956 ' ' ARG . 65.4 mttm -65.39 -31.92 73.28 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.266 -177.262 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1961 ' ' VAL . . . . . 0.727 HG21 ' HB2' ' A' 1865 ' ' ALA . 3.7 m -64.08 -35.25 73.06 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.221 0 CA-C-O 121.034 0.445 . . . . 0.0 109.835 178.081 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1962 ' ' SER . . . . . 0.615 ' HA ' HD11 ' A' 1965 ' ' LEU . 20.1 m -73.16 -24.55 60.59 Favored 'General case' 0 N--CA 1.442 -0.851 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.478 176.923 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1963 ' ' HIS . . . . . . . . . . . . . 39.9 m170 -73.77 -28.9 61.9 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.412 -0.588 . . . . 0.0 109.412 177.203 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1964 ' ' VAL . . . . . 0.437 ' O ' HD23 ' A' 1968 ' ' LEU . 84.5 t -65.95 -49.14 78.91 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.207 0 N-CA-C 108.827 -0.805 . . . . 0.0 108.827 169.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1965 ' ' LEU . . . . . 0.615 HD11 ' HA ' ' A' 1962 ' ' SER . 57.0 mt -51.0 -47.18 61.64 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.627 177.645 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1966 ' ' ALA . . . . . . . . . . . . . . . -63.14 -36.05 82.31 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.953 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1967 ' ' ALA . . . . . . . . . . . . . . . -67.39 -44.78 78.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.831 0.348 . . . . 0.0 111.125 -179.283 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1968 ' ' LEU . . . . . 0.909 ' HB3' ' HG3' ' A' 1854 ' ' GLN . 4.0 mm? -70.98 -29.15 65.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.902 -179.169 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1969 ' ' GLN . . . . . . . . . . . . . 71.5 mt-30 . . . . . 0 C--N 1.326 -0.433 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.256 -179.546 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A 1850 ' ' PHE . . . . . . . . . . . . . 40.0 t80 . . . . . 0 N--CA 1.455 -0.217 0 CA-C-O 120.838 0.351 . . . . 0.0 110.713 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A 1851 ' ' VAL . . . . . . . . . . . . . 34.5 m -58.5 -25.04 26.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.794 -0.639 . . . . 0.0 112.075 -177.471 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1852 ' ' ASP . . . . . . . . . . . . . 19.3 t70 -71.99 -52.66 15.97 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.816 0.341 . . . . 0.0 110.457 177.484 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1853 ' ' TYR . . . . . 0.557 ' O ' ' HG2' ' A' 1857 ' ' MET . 20.2 m-85 -61.0 -42.86 99.26 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.13 -0.693 . . . . 0.0 109.13 178.31 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1854 ' ' GLN . . . . . 0.732 ' HG3' ' HB3' ' A' 1968 ' ' LEU . 39.0 tt0 -49.4 -60.5 2.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 114.564 -1.198 . . . . 0.0 110.775 176.589 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1855 ' ' THR . . . . . 0.593 ' O ' ' HG2' ' A' 1859 ' ' ARG . 29.7 m -64.41 -27.75 69.21 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.314 -177.124 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1856 ' ' THR . . . . . 0.484 HG22 ' N ' ' A' 1857 ' ' MET . 1.0 OUTLIER -69.25 -56.17 8.35 Favored 'General case' 0 N--CA 1.445 -0.677 0 CA-C-O 120.838 0.352 . . . . 0.0 111.515 179.029 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A 1857 ' ' MET . . . . . 0.858 ' HG3' HD11 ' A' 1968 ' ' LEU . 7.0 ptm -77.88 -17.72 57.01 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 111.895 0.332 . . . . 0.0 111.895 -170.911 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1858 ' ' VAL . . . . . 0.464 HG11 ' O ' ' A' 1854 ' ' GLN . 34.5 m -66.32 -40.44 86.76 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.165 0 C-N-CA 119.651 -0.82 . . . . 0.0 109.545 170.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1859 ' ' ARG . . . . . 0.593 ' HG2' ' O ' ' A' 1855 ' ' THR . 36.4 mmt180 -62.81 -41.62 99.37 Favored 'General case' 0 CA--C 1.519 -0.213 0 CA-C-O 121.26 0.552 . . . . 0.0 109.611 177.659 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1860 ' ' THR . . . . . 0.432 HG23 ' HB2' ' A' 1896 ' ' LEU . 32.6 m -65.84 -45.22 83.04 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.273 -0.876 . . . . 0.0 111.06 -178.544 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1861 ' ' ALA . . . . . 0.44 ' HB3' HD22 ' A' 1965 ' ' LEU . . . -60.64 -41.21 94.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.861 0.363 . . . . 0.0 110.694 178.598 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1862 ' ' LYS . . . . . . . . . . . . . 57.1 mttm -66.7 -38.44 86.76 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.492 177.847 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1863 ' ' ALA . . . . . . . . . . . . . . . -64.26 -42.38 96.51 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.527 177.641 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1864 ' ' ILE . . . . . 0.637 ' O ' HG11 ' A' 1868 ' ' VAL . 66.7 mt -62.28 -46.81 95.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.154 175.689 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1865 ' ' ALA . . . . . 0.753 ' HB1' HG21 ' A' 1961 ' ' VAL . . . -56.07 -48.45 76.07 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.707 -179.345 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1866 ' ' VAL . . . . . . . . . . . . . 8.7 p -67.93 -29.79 46.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 C-N-CA 120.489 -0.484 . . . . 0.0 110.454 -179.509 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1867 ' ' THR . . . . . 0.668 ' O ' ' HG3' ' A' 1871 ' ' MET . 95.8 m -67.39 -50.29 60.24 Favored 'General case' 0 N--CA 1.455 -0.198 0 CA-C-N 116.729 -0.214 . . . . 0.0 110.663 177.842 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1868 ' ' VAL . . . . . 0.637 HG11 ' O ' ' A' 1864 ' ' ILE . 2.9 m -61.54 -31.83 51.75 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.313 0 CA-C-O 121.716 0.769 . . . . 0.0 109.743 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1869 ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -74.31 -32.6 62.91 Favored 'General case' 0 N--CA 1.424 -1.727 0 CA-C-N 114.642 -1.163 . . . . 0.0 110.265 -179.371 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1870 ' ' GLU . . . . . 0.583 ' O ' ' HG2' ' A' 1874 ' ' LYS . 39.2 mt-10 -70.46 -44.49 67.67 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.286 173.271 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1871 ' ' MET . . . . . 0.668 ' HG3' ' O ' ' A' 1867 ' ' THR . 43.1 mtp -52.81 -51.45 60.77 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.034 -177.686 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1872 ' ' VAL . . . . . 0.432 ' HB ' HG13 ' A' 1951 ' ' ILE . 34.5 m -66.98 -29.25 45.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-O 120.891 0.377 . . . . 0.0 111.487 -179.768 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1873 ' ' THR . . . . . . . . . . . . . 97.3 m -72.96 -40.34 65.41 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.65 178.33 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1874 ' ' LYS . . . . . 0.583 ' HG2' ' O ' ' A' 1870 ' ' GLU . 74.5 mmtt -65.84 -39.87 91.2 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.484 178.545 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1875 ' ' SER . . . . . . . . . . . . . 36.1 m -55.62 -18.54 7.99 Favored 'General case' 0 N--CA 1.466 0.357 0 N-CA-C 113.213 0.819 . . . . 0.0 113.213 -172.533 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1876 ' ' ASN . . . . . . . . . . . . . 59.4 m-80 -66.98 -35.52 80.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.912 0.387 . . . . 0.0 110.852 179.438 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1877 ' ' THR . . . . . . . . . . . . . 22.5 p -132.62 -42.36 0.93 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.137 0.494 . . . . 0.0 111.925 -174.07 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1878 ' ' SER . . . . . . . . . . . . . 43.3 m -111.53 97.73 37.72 Favored Pre-proline 0 C--N 1.323 -0.566 0 CA-C-N 115.657 -0.701 . . . . 0.0 111.64 -173.026 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1879 ' ' PRO . . . . . 0.718 ' HA ' HD11 ' A' 1882 ' ' LEU . 61.3 Cg_endo -91.69 -14.07 1.66 Allowed 'Trans proline' 0 N--CA 1.443 -1.461 0 C-N-CA 121.637 1.558 . . . . 0.0 112.631 177.461 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1880 ' ' GLU . . . . . . . . . . . . . 53.4 mm-40 -77.61 -29.04 51.68 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-O 121.185 0.517 . . . . 0.0 109.686 176.832 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1881 ' ' GLU . . . . . . . . . . . . . 19.7 mm-40 -67.25 -14.23 62.72 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.479 -0.782 . . . . 0.0 111.596 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1882 ' ' LEU . . . . . 0.718 HD11 ' HA ' ' A' 1879 ' ' PRO . 0.6 OUTLIER -78.72 -12.61 60.03 Favored 'General case' 0 N--CA 1.442 -0.849 0 CA-C-N 115.936 -0.575 . . . . 0.0 112.002 -177.672 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A 1883 ' ' GLY . . . . . . . . . . . . . . . -63.41 -61.54 6.19 Favored Glycine 0 CA--C 1.519 0.34 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.162 176.238 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1884 ' ' PRO . . . . . . . . . . . . . 13.7 Cg_endo -58.81 -35.83 97.99 Favored 'Trans proline' 0 C--N 1.348 0.52 0 C-N-CA 122.522 2.148 . . . . 0.0 112.47 176.252 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1885 ' ' LEU . . . . . . . . . . . . . 63.1 mt -65.0 -40.2 94.58 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.662 -0.244 . . . . 0.0 111.333 -179.535 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1886 ' ' ALA . . . . . . . . . . . . . . . -61.65 -44.05 97.7 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.167 0.508 . . . . 0.0 110.455 178.099 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1887 ' ' ASN . . . . . . . . . . . . . 94.1 m-20 -66.44 -37.7 85.74 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.49 177.876 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1888 ' ' GLN . . . . . . . . . . . . . 32.6 tp60 -61.88 -48.4 80.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.669 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1889 ' ' LEU . . . . . 0.5 HD12 ' SD ' ' A' 1871 ' ' MET . 1.6 tt -58.94 -42.89 90.88 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.357 0.598 . . . . 0.0 109.472 178.125 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1890 ' ' THR . . . . . . . . . . . . . 90.9 m -61.62 -51.38 68.72 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.18 -0.918 . . . . 0.0 111.659 -178.483 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1891 ' ' SER . . . . . . . . . . . . . 38.6 m -59.81 -46.84 87.98 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.696 -177.113 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1892 ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -67.76 -36.71 80.99 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.446 -178.043 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1893 ' ' TYR . . . . . . . . . . . . . 40.5 t80 -61.98 -36.47 81.57 Favored 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 120.591 -0.443 . . . . 0.0 110.536 177.038 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1894 ' ' GLY . . . . . . . . . . . . . . . -57.46 -38.65 88.18 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.858 -0.687 . . . . 0.0 111.691 177.171 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1895 ' ' ARG . . . . . . . . . . . . . 43.2 ttp-105 -70.6 -45.7 64.81 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.961 0.41 . . . . 0.0 110.098 176.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1896 ' ' LEU . . . . . 0.518 HD13 HG13 ' A' 1964 ' ' VAL . 61.3 tp -56.77 -52.28 65.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.608 -0.724 . . . . 0.0 111.508 -179.658 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1897 ' ' ALA . . . . . . . . . . . . . . . -63.91 -24.5 67.76 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.011 -0.541 . . . . 0.0 111.558 -176.811 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1898 ' ' SER . . . . . . . . . . . . . 64.9 m -80.8 -34.3 34.18 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.069 0.461 . . . . 0.0 110.464 -176.137 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1899 ' ' GLN . . . . . 0.422 ' HG3' ' CG2' ' A' 1856 ' ' THR . 16.1 mm100 -72.27 -14.61 61.81 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.681 179.651 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1900 ' ' ALA . . . . . . . . . . . . . . . -68.47 -26.74 65.64 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.859 -0.609 . . . . 0.0 111.494 179.231 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1901 ' ' LYS . . . . . 0.43 ' HB3' ' CD ' ' A' 1902 ' ' PRO . 85.4 tttt -71.06 -57.87 4.5 Favored Pre-proline 0 CA--C 1.538 0.492 0 C-N-CA 121.096 -0.241 . . . . 0.0 111.173 -178.361 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1902 ' ' PRO . . . . . 0.43 ' CD ' ' HB3' ' A' 1901 ' ' LYS . 31.1 Cg_endo -64.79 -32.34 56.34 Favored 'Trans proline' 0 C--N 1.356 0.923 0 C-N-CA 121.843 1.696 . . . . 0.0 112.169 179.076 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1903 ' ' ALA . . . . . . . . . . . . . . . -68.86 -28.66 66.91 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.985 179.562 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1904 ' ' ALA . . . . . . . . . . . . . . . -78.94 -47.06 17.08 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.97 0.415 . . . . 0.0 110.748 -179.529 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1905 ' ' VAL . . . . . . . . . . . . . 34.9 m -72.49 -27.47 26.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.0 -0.546 . . . . 0.0 111.476 -177.324 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1906 ' ' ALA . . . . . . . . . . . . . . . -105.78 21.98 16.35 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.798 0.332 . . . . 0.0 110.78 179.413 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1907 ' ' ALA . . . . . . . . . . . . . . . -74.31 130.63 40.06 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.309 179.843 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1908 ' ' GLU . . . . . . . . . . . . . 12.1 mp0 -55.11 -47.93 74.31 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.575 -0.739 . . . . 0.0 111.935 175.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1909 ' ' ASN . . . . . 0.603 ' HB2' HG13 ' A' 1912 ' ' ILE . 92.1 m-20 -118.8 163.05 17.46 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.443 -171.28 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1910 ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -56.32 -54.32 46.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.226 -0.897 . . . . 0.0 111.326 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1911 ' ' GLU . . . . . 0.5 ' HB3' ' CD2' ' A' 1915 ' ' HIS . 31.5 mt-10 -66.92 -31.52 72.17 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.779 -173.618 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1912 ' ' ILE . . . . . 0.603 HG13 ' HB2' ' A' 1909 ' ' ASN . 43.1 mt -59.09 -54.05 39.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 C-N-CA 121.1 -0.24 . . . . 0.0 110.747 -177.401 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1913 ' ' GLY . . . . . . . . . . . . . . . -65.55 -31.21 79.4 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.473 -177.701 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1914 ' ' ALA . . . . . . . . . . . . . . . -76.88 -48.91 16.94 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.781 0.324 . . . . 0.0 110.998 -177.695 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1915 ' ' HIS . . . . . 0.626 ' O ' ' HG2' ' A' 1919 ' ' ARG . 60.6 m-70 -59.99 -44.22 94.66 Favored 'General case' 0 CA--C 1.518 -0.257 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.688 -175.334 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1916 ' ' ILE . . . . . 0.469 HG13 ' O ' ' A' 1912 ' ' ILE . 91.6 mt -52.55 -52.42 26.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 O-C-N 123.462 0.476 . . . . 0.0 111.29 -178.781 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1917 ' ' LYS . . . . . . . . . . . . . 56.9 mtmt -66.27 -37.51 85.62 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.293 -177.59 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1918 ' ' HIS . . . . . . . . . . . . . 62.8 m-70 -64.31 -33.4 75.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.816 0.341 . . . . 0.0 111.332 179.103 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1919 ' ' ARG . . . . . 0.626 ' HG2' ' O ' ' A' 1915 ' ' HIS . 26.4 mmt180 -77.69 -47.84 18.21 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.925 -0.31 . . . . 0.0 111.046 -177.063 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1920 ' ' VAL . . . . . . . . . . . . . 34.5 m -66.14 -34.37 69.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 C-N-CA 120.998 -0.281 . . . . 0.0 110.988 -178.785 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1921 ' ' GLN . . . . . . . . . . . . . 53.4 tt0 -62.53 -41.2 98.72 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-O 121.223 0.535 . . . . 0.0 110.105 177.299 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1922 ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -73.89 -35.21 64.66 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.267 178.379 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1923 ' ' LEU . . . . . . . . . . . . . 24.8 mt -59.55 -34.61 72.88 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.409 -0.359 . . . . 0.0 110.442 174.303 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1924 ' ' GLY . . . . . . . . . . . . . . . -57.67 -35.88 75.97 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.881 -0.676 . . . . 0.0 112.26 177.495 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1925 ' ' HIS . . . . . . . . . . . . . 29.7 m170 -78.61 -30.57 46.64 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.998 0.428 . . . . 0.0 110.622 179.686 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1926 ' ' GLY . . . . . . . . . . . . . . . -77.84 -46.29 9.71 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.912 -0.661 . . . . 0.0 112.473 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1927 ' ' CYS . . . . . . . . . . . . . 68.8 m -64.28 -42.25 96.51 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.504 0.192 . . . . 0.0 111.016 -178.595 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1928 ' ' SER . . . . . . . . . . . . . 26.8 p -61.57 -44.92 96.15 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.978 0.418 . . . . 0.0 110.778 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1929 ' ' ALA . . . . . 0.461 ' O ' ' HG2' ' A' 1933 ' ' LYS . . . -62.63 -45.87 90.87 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.588 177.508 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1930 ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.8 -52.4 65.61 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.046 -177.618 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1931 ' ' VAL . . . . . . . . . . . . . 29.1 m -65.23 -28.19 43.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 120.833 0.349 . . . . 0.0 111.243 -176.612 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1932 ' ' THR . . . . . . . . . . . . . 85.7 m -70.5 -41.8 72.17 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.925 0.393 . . . . 0.0 110.21 175.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1933 ' ' LYS . . . . . 0.461 ' HG2' ' O ' ' A' 1929 ' ' ALA . 74.3 mmtt -68.17 -40.57 82.28 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.41 177.611 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1934 ' ' ALA . . . . . 0.479 ' O ' ' HB2' ' A' 1938 ' ' GLN . . . -58.89 -39.8 82.54 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.468 175.608 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1935 ' ' GLY . . . . . . . . . . . . . . . -69.37 -34.23 74.11 Favored Glycine 0 N--CA 1.449 -0.474 0 C-N-CA 120.964 -0.636 . . . . 0.0 112.178 177.686 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1936 ' ' ALA . . . . . . . . . . . . . . . -73.43 -45.35 54.96 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.772 0.32 . . . . 0.0 111.12 -179.497 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1937 ' ' LEU . . . . . 0.514 ' N ' HG21 ' A' 1946 ' ' THR . 37.8 tp -67.48 -24.96 65.65 Favored 'General case' 0 CA--C 1.516 -0.327 0 CA-C-O 121.555 0.693 . . . . 0.0 109.789 178.443 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1938 ' ' GLN . . . . . 0.485 ' HG3' ' O ' ' A' 1879 ' ' PRO . 6.8 tt0 -67.16 -26.9 66.88 Favored 'General case' 0 N--CA 1.444 -0.742 0 CA-C-N 115.029 -0.987 . . . . 0.0 109.8 178.048 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1939 ' ' CYS . . . . . . . . . . . . . 66.2 m -86.17 -43.66 12.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.525 176.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1940 ' ' SER . . . . . . . . . . . . . 14.6 m -114.79 90.11 21.27 Favored Pre-proline 0 C--N 1.325 -0.5 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.331 -179.156 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1941 ' ' PRO . . . . . 0.581 ' HB3' ' HG3' ' A' 1879 ' ' PRO . 40.9 Cg_endo -70.07 -25.16 27.46 Favored 'Trans proline' 0 C--O 1.235 0.336 0 C-N-CA 122.879 2.386 . . . . 0.0 113.362 -174.71 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1942 ' ' SER . . . . . . . . . . . . . 20.1 m -99.74 7.01 45.42 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.746 0.308 . . . . 0.0 111.138 -176.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1943 ' ' ASP . . . . . . . . . . . . . 21.1 t70 -86.64 104.55 16.17 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.137 0.494 . . . . 0.0 109.828 179.15 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1944 ' ' VAL . . . . . . . . . . . . . 9.0 p -69.96 -27.92 34.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 116.046 -0.524 . . . . 0.0 111.047 -175.534 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1945 ' ' TYR . . . . . 0.48 ' O ' ' HG3' ' A' 1949 ' ' GLU . 91.4 m-85 -61.85 -53.59 53.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.939 0.399 . . . . 0.0 110.513 -178.429 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1946 ' ' THR . . . . . 0.514 HG21 ' N ' ' A' 1937 ' ' LEU . 62.8 m -60.85 -40.48 93.05 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.625 178.466 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1947 ' ' LYS . . . . . 0.414 ' O ' HD13 ' A' 1951 ' ' ILE . 30.0 ttpt -60.9 -47.58 85.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.165 178.891 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1948 ' ' LYS . . . . . 0.493 ' HE2' ' HA ' ' A' 1948 ' ' LYS . 7.6 mmpt? -54.22 -49.84 68.52 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.912 179.086 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1949 ' ' GLU . . . . . 0.48 ' HG3' ' O ' ' A' 1945 ' ' TYR . 34.2 mt-10 -57.91 -41.79 83.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.782 -179.612 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1950 ' ' LEU . . . . . 0.698 HD11 HD22 ' A' 1882 ' ' LEU . 6.4 tt -61.32 -49.92 75.07 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.08 179.733 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1951 ' ' ILE . . . . . 0.464 ' O ' ' HG2' ' A' 1955 ' ' ARG . 1.8 mp -61.38 -49.11 85.87 Favored 'Isoleucine or valine' 0 C--O 1.235 0.338 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.082 179.383 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1952 ' ' GLU . . . . . 0.562 ' O ' ' HG3' ' A' 1956 ' ' ARG . 45.8 mt-10 -64.4 -33.92 76.97 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.581 -176.846 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1953 ' ' CYS . . . . . . . . . . . . . 35.1 t -72.42 -45.97 57.22 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.731 0.3 . . . . 0.0 110.977 -179.701 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1954 ' ' ALA . . . . . . . . . . . . . . . -64.1 -43.0 96.69 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 112.042 0.386 . . . . 0.0 112.042 -175.312 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1955 ' ' ARG . . . . . 0.464 ' HG2' ' O ' ' A' 1951 ' ' ILE . 8.5 ptp180 -64.71 -24.14 67.47 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.724 0.297 . . . . 0.0 111.196 -179.003 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1956 ' ' ARG . . . . . 0.562 ' HG3' ' O ' ' A' 1952 ' ' GLU . 80.1 mtp180 -78.65 -47.91 16.1 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-O 120.783 0.325 . . . . 0.0 110.739 177.658 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1957 ' ' VAL . . . . . 0.511 ' O ' HG11 ' A' 1961 ' ' VAL . 14.9 m -68.32 -22.87 27.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.555 -174.916 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1958 ' ' SER . . . . . 0.529 ' O ' HG23 ' A' 1961 ' ' VAL . 48.4 t -63.57 -26.1 68.54 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.995 0.426 . . . . 0.0 110.357 177.15 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1959 ' ' GLU . . . . . . . . . . . . . 44.5 mm-40 -82.11 -34.18 29.37 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.043 0.449 . . . . 0.0 110.494 173.429 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1960 ' ' LYS . . . . . . . . . . . . . 34.0 mtpt -68.41 -29.51 68.21 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.26 -178.262 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1961 ' ' VAL . . . . . 0.753 HG21 ' HB1' ' A' 1865 ' ' ALA . 13.9 m -72.55 -33.93 46.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-O 121.202 0.525 . . . . 0.0 110.025 173.363 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1962 ' ' SER . . . . . 0.553 ' HA ' HD12 ' A' 1965 ' ' LEU . 23.5 t -68.94 -24.57 64.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.76 -0.655 . . . . 0.0 109.676 178.627 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1963 ' ' HIS . . . . . . . . . . . . . 55.1 m170 -70.52 -30.89 67.76 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.088 176.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1964 ' ' VAL . . . . . 0.518 HG13 HD13 ' A' 1896 ' ' LEU . 97.4 t -67.24 -46.24 84.48 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.296 0 N-CA-C 108.92 -0.77 . . . . 0.0 108.92 172.499 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1965 ' ' LEU . . . . . 0.553 HD12 ' HA ' ' A' 1962 ' ' SER . 59.9 mt -54.62 -50.23 68.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.049 -0.978 . . . . 0.0 110.7 178.616 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1966 ' ' ALA . . . . . . . . . . . . . . . -69.18 -40.61 78.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.847 -176.826 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1967 ' ' ALA . . . . . . . . . . . . . . . -60.09 -33.65 72.39 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.085 0.469 . . . . 0.0 111.294 -178.683 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1968 ' ' LEU . . . . . 0.858 HD11 ' HG3' ' A' 1857 ' ' MET . 51.7 mt -76.97 -18.08 58.46 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.452 -179.043 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1969 ' ' GLN . . . . . 0.465 ' HG3' ' O ' ' A' 1965 ' ' LEU . 76.7 mt-30 . . . . . 0 C--N 1.324 -0.503 0 CA-C-O 120.856 0.36 . . . . 0.0 111.391 -175.528 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1850 ' ' PHE . . . . . . . . . . . . . 79.1 t80 . . . . . 0 CA--C 1.53 0.207 0 CA-C-O 120.933 0.397 . . . . 0.0 111.393 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A 1851 ' ' VAL . . . . . . . . . . . . . 33.7 m -54.47 -34.9 29.76 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.336 0 N-CA-C 112.804 0.668 . . . . 0.0 112.804 -174.203 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1852 ' ' ASP . . . . . . . . . . . . . 25.7 t70 -68.98 -49.27 59.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.82 0.343 . . . . 0.0 110.735 -178.697 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1853 ' ' TYR . . . . . 0.514 ' O ' ' HG2' ' A' 1857 ' ' MET . 62.0 m-85 -62.21 -37.41 85.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.796 -0.638 . . . . 0.0 109.851 178.116 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1854 ' ' GLN . . . . . 0.571 ' HG3' ' HB3' ' A' 1968 ' ' LEU . 26.5 tt0 -56.1 -51.95 66.08 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.172 -0.922 . . . . 0.0 110.532 174.182 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1855 ' ' THR . . . . . 0.525 ' O ' ' HG2' ' A' 1859 ' ' ARG . 59.0 m -56.08 -44.81 79.34 Favored 'General case' 0 CA--C 1.531 0.235 0 CA-C-N 115.544 -0.753 . . . . 0.0 112.436 -173.583 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1856 ' ' THR . . . . . 0.526 HG23 ' N ' ' A' 1857 ' ' MET . 8.9 t -65.56 -49.4 69.01 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.967 0.413 . . . . 0.0 111.927 -175.274 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1857 ' ' MET . . . . . 0.545 ' HG3' ' CD1' ' A' 1968 ' ' LEU . 6.3 ptm -82.48 -18.69 40.78 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 112.578 0.584 . . . . 0.0 112.578 -172.016 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1858 ' ' VAL . . . . . 0.527 HG12 ' O ' ' A' 1854 ' ' GLN . 33.2 m -67.57 -38.73 81.04 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.305 0 C-N-CA 119.466 -0.894 . . . . 0.0 109.08 171.081 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1859 ' ' ARG . . . . . 0.525 ' HG2' ' O ' ' A' 1855 ' ' THR . 21.0 mmm180 -66.64 -43.92 83.33 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.026 -0.533 . . . . 0.0 109.925 177.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1860 ' ' THR . . . . . 0.476 ' O ' HG13 ' A' 1864 ' ' ILE . 62.3 m -64.37 -42.56 96.12 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.404 -0.816 . . . . 0.0 111.462 -178.487 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1861 ' ' ALA . . . . . . . . . . . . . . . -58.82 -41.35 86.64 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.94 0.4 . . . . 0.0 110.901 179.441 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1862 ' ' LYS . . . . . . . . . . . . . 48.0 mttm -66.04 -38.1 87.55 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.485 178.773 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1863 ' ' ALA . . . . . . . . . . . . . . . -67.47 -36.8 81.85 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.588 -179.575 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1864 ' ' ILE . . . . . 0.476 HG13 ' O ' ' A' 1860 ' ' THR . 70.7 mt -67.53 -43.96 86.84 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.058 175.598 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1865 ' ' ALA . . . . . 0.741 ' HB1' HG21 ' A' 1961 ' ' VAL . . . -57.26 -44.94 84.35 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.885 -178.785 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1866 ' ' VAL . . . . . 0.645 ' HA ' ' HG2' ' A' 1869 ' ' GLN . 10.0 p -71.99 -30.18 35.8 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 C-N-CA 120.564 -0.454 . . . . 0.0 110.603 179.648 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1867 ' ' THR . . . . . . . . . . . . . 97.1 m -69.31 -46.35 67.34 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.732 0.301 . . . . 0.0 110.867 178.577 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1868 ' ' VAL . . . . . . . . . . . . . 32.7 m -66.94 -32.19 56.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-O 120.788 0.328 . . . . 0.0 110.706 -179.369 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1869 ' ' GLN . . . . . 0.645 ' HG2' ' HA ' ' A' 1866 ' ' VAL . 3.0 pt20 -78.65 -27.94 45.34 Favored 'General case' 0 N--CA 1.45 -0.427 0 C-N-CA 120.782 -0.367 . . . . 0.0 110.396 178.693 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1870 ' ' GLU . . . . . . . . . . . . . 29.0 mt-10 -61.77 -37.54 84.71 Favored 'General case' 0 C--O 1.222 -0.347 0 N-CA-C 109.827 -0.435 . . . . 0.0 109.827 171.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1871 ' ' MET . . . . . 0.44 ' HB3' HD21 ' A' 1950 ' ' LEU . 8.1 mtt -55.44 -48.88 73.76 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.948 178.257 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1872 ' ' VAL . . . . . 0.994 ' HB ' HG13 ' A' 1951 ' ' ILE . 1.6 m -70.82 -29.1 36.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-O 121.489 0.661 . . . . 0.0 110.68 -177.347 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1873 ' ' THR . . . . . . . . . . . . . 49.7 m -80.28 -36.93 33.78 Favored 'General case' 0 N--CA 1.441 -0.898 0 CA-C-N 115.072 -0.967 . . . . 0.0 111.619 -177.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1874 ' ' LYS . . . . . . . . . . . . . 68.8 mmtt -74.28 -38.54 63.38 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.091 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1875 ' ' SER . . . . . 0.606 ' HB3' HD11 ' A' 1882 ' ' LEU . 3.9 p -61.53 -10.96 9.07 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 112.431 0.53 . . . . 0.0 112.431 -175.252 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1876 ' ' ASN . . . . . . . . . . . . . 13.7 m120 -61.85 -43.61 98.49 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.93 0.395 . . . . 0.0 110.61 175.285 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1877 ' ' THR . . . . . . . . . . . . . 43.5 p -130.81 -7.75 4.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 0.0 112.191 -174.837 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1878 ' ' SER . . . . . . . . . . . . . 36.2 m -142.25 105.15 5.58 Favored Pre-proline 0 C--N 1.322 -0.591 0 CA-C-N 116.566 -0.288 . . . . 0.0 111.304 -173.401 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1879 ' ' PRO . . . . . 0.709 ' HA ' HD13 ' A' 1882 ' ' LEU . 30.7 Cg_endo -90.88 -24.28 0.46 Allowed 'Trans proline' 0 N--CA 1.448 -1.195 0 C-N-CA 121.705 1.603 . . . . 0.0 112.797 176.356 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1880 ' ' GLU . . . . . . . . . . . . . 44.0 mm-40 -73.09 -30.66 63.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.763 0.316 . . . . 0.0 110.746 -178.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1881 ' ' GLU . . . . . . . . . . . . . 36.8 mm-40 -65.09 -15.18 62.09 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.394 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1882 ' ' LEU . . . . . 0.709 HD13 ' HA ' ' A' 1879 ' ' PRO . 1.0 OUTLIER -78.97 -14.14 59.38 Favored 'General case' 0 N--CA 1.44 -0.926 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.052 -177.553 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A 1883 ' ' GLY . . . . . . . . . . . . . . . -62.25 -60.34 8.08 Favored Glycine 0 CA--C 1.52 0.396 0 C-N-CA 120.918 -0.658 . . . . 0.0 111.898 175.307 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1884 ' ' PRO . . . . . . . . . . . . . 34.8 Cg_exo -58.86 -39.63 79.65 Favored 'Trans proline' 0 C--N 1.349 0.586 0 C-N-CA 122.64 2.227 . . . . 0.0 112.241 174.816 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1885 ' ' LEU . . . . . . . . . . . . . 48.2 mt -61.38 -34.95 76.18 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-N 116.597 -0.274 . . . . 0.0 111.312 -179.529 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1886 ' ' ALA . . . . . 0.494 ' HB2' ' HB ' ' A' 1931 ' ' VAL . . . -64.7 -43.46 93.42 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.959 0.409 . . . . 0.0 110.524 177.147 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1887 ' ' ASN . . . . . . . . . . . . . 92.6 m-20 -66.68 -40.27 88.47 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.154 -0.475 . . . . 0.0 109.87 177.279 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1888 ' ' GLN . . . . . . . . . . . . . 53.8 tp60 -58.28 -50.88 72.02 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.39 -0.823 . . . . 0.0 110.974 178.305 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1889 ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -54.99 -52.33 63.43 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 177.356 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1890 ' ' THR . . . . . . . . . . . . . 79.2 m -55.12 -42.11 72.54 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 114.849 -1.069 . . . . 0.0 111.763 -179.646 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1891 ' ' SER . . . . . . . . . . . . . 32.4 m -65.5 -48.69 71.72 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.2 -177.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1892 ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -71.54 -35.07 70.54 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.563 -0.29 . . . . 0.0 111.437 -178.125 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1893 ' ' TYR . . . . . . . . . . . . . 20.9 t80 -58.93 -43.54 91.18 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 110.091 -0.337 . . . . 0.0 110.091 173.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1894 ' ' GLY . . . . . 0.434 ' O ' ' HB2' ' A' 1898 ' ' SER . . . -58.59 -33.85 73.81 Favored Glycine 0 N--CA 1.449 -0.459 0 C-N-CA 121.047 -0.597 . . . . 0.0 112.013 178.048 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1895 ' ' ARG . . . . . . . . . . . . . 45.4 ttm180 -73.85 -45.86 48.48 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.846 0.355 . . . . 0.0 110.206 178.591 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1896 ' ' LEU . . . . . 0.657 HD12 HG13 ' A' 1964 ' ' VAL . 46.1 tp -60.67 -49.72 76.39 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.805 179.262 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1897 ' ' ALA . . . . . . . . . . . . . . . -65.26 -23.07 66.95 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.217 -179.377 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1898 ' ' SER . . . . . 0.434 ' HB2' ' O ' ' A' 1894 ' ' GLY . 9.1 t -79.39 -36.21 39.51 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 109.581 -0.526 . . . . 0.0 109.581 -177.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1899 ' ' GLN . . . . . 0.478 ' HA ' ' OE1' ' A' 1899 ' ' GLN . 8.1 mm-40 -76.33 -13.8 60.13 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.728 179.502 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1900 ' ' ALA . . . . . . . . . . . . . . . -67.93 -22.87 65.04 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.98 178.271 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1901 ' ' LYS . . . . . 0.652 ' HB3' ' HD3' ' A' 1902 ' ' PRO . 11.3 tmtt? -75.08 -57.43 1.76 Allowed Pre-proline 0 CA--C 1.541 0.616 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.861 -178.386 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1902 ' ' PRO . . . . . 0.652 ' HD3' ' HB3' ' A' 1901 ' ' LYS . 15.1 Cg_exo -67.81 -29.5 35.19 Favored 'Trans proline' 0 C--N 1.357 1.013 0 C-N-CA 122.08 1.853 . . . . 0.0 112.239 -178.83 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1903 ' ' ALA . . . . . . . . . . . . . . . -69.12 -34.13 74.56 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.791 179.383 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1904 ' ' ALA . . . . . . . . . . . . . . . -78.14 -38.01 44.77 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.053 -177.804 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1905 ' ' VAL . . . . . 0.449 HG21 ' HA ' ' A' 1902 ' ' PRO . 21.9 m -74.3 -26.55 20.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.365 -177.305 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1906 ' ' ALA . . . . . . . . . . . . . . . -96.94 -3.67 41.35 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.661 0.267 . . . . 0.0 111.04 179.109 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1907 ' ' ALA . . . . . . . . . . . . . . . -57.56 122.01 11.7 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.542 -177.28 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1908 ' ' GLU . . . . . . . . . . . . . 55.9 mp0 -66.31 -18.81 65.58 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.553 -0.749 . . . . 0.0 111.389 -179.511 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1909 ' ' ASN . . . . . 0.74 ' HB3' HG13 ' A' 1912 ' ' ILE . 18.9 t-20 -127.71 154.65 45.08 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.735 -171.063 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1910 ' ' GLU . . . . . . . . . . . . . 15.1 tp10 -56.47 -51.3 68.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.625 177.027 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1911 ' ' GLU . . . . . 0.504 ' HB3' ' CD2' ' A' 1915 ' ' HIS . 7.7 mt-10 -77.14 -31.47 55.69 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.604 -0.726 . . . . 0.0 112.247 -172.197 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1912 ' ' ILE . . . . . 0.74 HG13 ' HB3' ' A' 1909 ' ' ASN . 86.1 mt -52.58 -53.57 19.64 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.351 0 CA-C-O 120.738 0.304 . . . . 0.0 110.526 -179.795 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1913 ' ' GLY . . . . . . . . . . . . . . . -73.48 -29.21 64.21 Favored Glycine 0 N--CA 1.449 -0.477 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.381 -179.426 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1914 ' ' ALA . . . . . . . . . . . . . . . -69.09 -50.88 44.22 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 110.306 -0.257 . . . . 0.0 110.306 -178.546 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1915 ' ' HIS . . . . . 0.616 ' O ' ' HG2' ' A' 1919 ' ' ARG . 76.5 m-70 -56.71 -43.81 80.95 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.964 -177.227 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1916 ' ' ILE . . . . . . . . . . . . . 93.2 mt -55.47 -58.26 5.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.236 179.793 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1917 ' ' LYS . . . . . . . . . . . . . 55.3 mtmt -66.15 -24.66 66.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.338 -178.287 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1918 ' ' HIS . . . . . . . . . . . . . 2.2 m80 -73.5 -39.85 64.53 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.001 0.429 . . . . 0.0 111.09 177.209 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1919 ' ' ARG . . . . . 0.623 ' HD2' ' HB3' ' A' 1963 ' ' HIS . 27.2 mmt180 -81.27 -36.44 29.89 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.286 -0.416 . . . . 0.0 112.063 -173.881 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1920 ' ' VAL . . . . . . . . . . . . . 20.8 m -68.84 -23.84 27.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 121.215 0.531 . . . . 0.0 109.844 175.804 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1921 ' ' GLN . . . . . . . . . . . . . 24.0 tm0? -67.71 -35.22 78.38 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.6 -0.727 . . . . 0.0 109.974 177.211 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1922 ' ' GLU . . . . . 0.638 ' HB3' ' HD3' ' A' 1960 ' ' LYS . 45.9 mt-10 -62.26 -48.59 79.27 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.706 0.765 . . . . 0.0 109.794 174.274 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1923 ' ' LEU . . . . . 0.64 ' HG ' ' SG ' ' A' 1927 ' ' CYS . 20.1 tp -65.35 -28.81 69.55 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 114.767 -1.106 . . . . 0.0 111.231 -174.502 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1924 ' ' GLY . . . . . . . . . . . . . . . -54.83 -51.53 52.48 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 121.239 -0.505 . . . . 0.0 112.794 -179.438 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1925 ' ' HIS . . . . . . . . . . . . . 32.5 m170 -70.67 -34.95 72.55 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.812 0.339 . . . . 0.0 110.52 179.562 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1926 ' ' GLY . . . . . 0.415 ' O ' ' HB2' ' A' 1930 ' ' LEU . . . -63.3 -43.2 98.79 Favored Glycine 0 N--CA 1.448 -0.512 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.254 179.441 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1927 ' ' CYS . . . . . 0.64 ' SG ' ' HG ' ' A' 1923 ' ' LEU . 75.6 m -65.46 -46.29 80.39 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.351 0.12 . . . . 0.0 111.175 -178.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1928 ' ' SER . . . . . . . . . . . . . 28.8 p -64.29 -37.65 88.23 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.817 0.341 . . . . 0.0 110.932 -177.16 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1929 ' ' ALA . . . . . . . . . . . . . . . -70.64 -45.54 64.98 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.68 177.556 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1930 ' ' LEU . . . . . 0.415 ' HB2' ' O ' ' A' 1926 ' ' GLY . 0.4 OUTLIER -62.57 -50.3 71.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.432 -177.19 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A 1931 ' ' VAL . . . . . 0.494 ' HB ' ' HB2' ' A' 1886 ' ' ALA . 26.6 m -64.25 -28.02 43.98 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.172 0 CA-C-O 120.866 0.365 . . . . 0.0 111.196 -176.527 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1932 ' ' THR . . . . . . . . . . . . . 75.0 m -71.22 -42.03 69.45 Favored 'General case' 0 N--CA 1.451 -0.391 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.417 176.449 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1933 ' ' LYS . . . . . . . . . . . . . 32.9 mmtp -73.36 -26.96 61.23 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.888 179.163 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1934 ' ' ALA . . . . . . . . . . . . . . . -61.01 -50.15 74.54 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.147 0.499 . . . . 0.0 109.97 174.152 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1935 ' ' GLY . . . . . 0.478 ' O ' ' HG3' ' A' 1938 ' ' GLN . . . -69.7 -30.45 70.67 Favored Glycine 0 N--CA 1.447 -0.596 0 CA-C-N 115.616 -0.72 . . . . 0.0 112.115 177.098 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1936 ' ' ALA . . . . . . . . . . . . . . . -69.66 -39.62 76.96 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.743 0.306 . . . . 0.0 110.93 179.432 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1937 ' ' LEU . . . . . . . . . . . . . 64.9 tp -69.43 -34.26 74.17 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.319 -178.051 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1938 ' ' GLN . . . . . 0.644 ' HB3' ' O ' ' A' 1879 ' ' PRO . 0.0 OUTLIER -72.32 -25.69 61.66 Favored 'General case' 0 C--N 1.321 -0.64 0 C-N-CA 119.649 -0.821 . . . . 0.0 110.505 177.303 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A 1939 ' ' CYS . . . . . . . . . . . . . 74.7 m -76.19 -33.44 59.29 Favored 'General case' 0 CA--C 1.532 0.258 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.802 173.282 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1940 ' ' SER . . . . . . . . . . . . . 33.1 m -129.21 78.61 75.75 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 120.829 0.347 . . . . 0.0 110.536 177.837 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1941 ' ' PRO . . . . . 0.508 ' HB3' ' HG3' ' A' 1879 ' ' PRO . 7.1 Cg_exo -74.81 -24.53 13.16 Favored 'Trans proline' 0 C--N 1.342 0.233 0 C-N-CA 123.179 2.586 . . . . 0.0 112.95 -173.596 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1942 ' ' SER . . . . . . . . . . . . . 20.4 m -84.71 -15.29 45.7 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.762 -177.542 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1943 ' ' ASP . . . . . . . . . . . . . 36.4 t70 -81.65 112.44 18.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.009 -179.711 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1944 ' ' VAL . . . . . . . . . . . . . 8.0 p -71.07 -28.25 32.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.972 -176.204 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1945 ' ' TYR . . . . . 0.42 ' O ' ' HG3' ' A' 1949 ' ' GLU . 95.3 m-85 -69.78 -42.23 74.08 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 111.748 0.277 . . . . 0.0 111.748 -173.817 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1946 ' ' THR . . . . . . . . . . . . . 91.8 m -57.95 -40.24 80.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.17 0.509 . . . . 0.0 110.102 173.389 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1947 ' ' LYS . . . . . 0.44 ' HB3' ' HE2' ' A' 1947 ' ' LYS . 32.4 ttpt -66.43 -45.97 78.08 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.544 177.783 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1948 ' ' LYS . . . . . 0.515 ' O ' ' HG3' ' A' 1952 ' ' GLU . 0.0 OUTLIER -53.38 -53.25 53.89 Favored 'General case' 0 CA--C 1.519 -0.242 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.585 -179.95 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A 1949 ' ' GLU . . . . . 0.42 ' HG3' ' O ' ' A' 1945 ' ' TYR . 35.1 mt-10 -55.76 -38.45 69.86 Favored 'General case' 0 C--O 1.225 -0.192 0 O-C-N 123.73 0.643 . . . . 0.0 111.191 -177.786 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1950 ' ' LEU . . . . . 0.675 HD12 HD23 ' A' 1882 ' ' LEU . 9.7 tt -63.1 -48.84 76.87 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.503 -179.863 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1951 ' ' ILE . . . . . 0.994 HG13 ' HB ' ' A' 1872 ' ' VAL . 1.8 mp -63.04 -40.53 89.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 121.092 0.472 . . . . 0.0 110.027 177.618 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1952 ' ' GLU . . . . . 0.567 ' O ' ' HG3' ' A' 1956 ' ' ARG . 43.4 mt-10 -69.43 -22.48 63.67 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.576 -179.035 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1953 ' ' CYS . . . . . . . . . . . . . 63.8 m -80.16 -43.97 20.68 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.3 177.404 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1954 ' ' ALA . . . . . . . . . . . . . . . -59.61 -41.69 90.95 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.099 -179.034 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1955 ' ' ARG . . . . . 0.403 ' HG3' ' O ' ' A' 1952 ' ' GLU . 0.0 OUTLIER -63.01 -24.44 67.92 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.835 0.35 . . . . 0.0 110.949 179.878 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A 1956 ' ' ARG . . . . . 0.567 ' HG3' ' O ' ' A' 1952 ' ' GLU . 97.8 mtt180 -76.29 -48.59 19.62 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.185 0.517 . . . . 0.0 109.883 177.566 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1957 ' ' VAL . . . . . 0.586 ' O ' HG11 ' A' 1961 ' ' VAL . 13.0 m -74.2 -27.87 22.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.833 -0.622 . . . . 0.0 111.868 -173.371 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1958 ' ' SER . . . . . 0.573 ' O ' HG23 ' A' 1961 ' ' VAL . 14.9 m -65.31 -24.62 67.32 Favored 'General case' 0 CA--C 1.531 0.232 0 CA-C-O 121.198 0.523 . . . . 0.0 110.365 179.902 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1959 ' ' GLU . . . . . . . . . . . . . 28.0 mm-40 -80.24 -35.07 36.64 Favored 'General case' 0 CA--C 1.517 -0.326 0 N-CA-C 109.919 -0.4 . . . . 0.0 109.919 173.474 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1960 ' ' LYS . . . . . 0.638 ' HD3' ' HB3' ' A' 1922 ' ' GLU . 67.6 mttm -66.44 -35.11 79.47 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.553 -179.358 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1961 ' ' VAL . . . . . 0.741 HG21 ' HB1' ' A' 1865 ' ' ALA . 3.8 m -67.07 -34.41 69.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 N-CA-C 109.548 -0.538 . . . . 0.0 109.548 174.734 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1962 ' ' SER . . . . . 0.558 ' HA ' HD11 ' A' 1965 ' ' LEU . 35.5 m -73.33 -25.16 60.51 Favored 'General case' 0 N--CA 1.453 -0.319 0 CA-C-N 115.627 -0.715 . . . . 0.0 109.881 178.497 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1963 ' ' HIS . . . . . 0.623 ' HB3' ' HD2' ' A' 1919 ' ' ARG . 63.6 m170 -69.31 -35.08 75.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.179 176.087 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1964 ' ' VAL . . . . . 0.657 HG13 HD12 ' A' 1896 ' ' LEU . 66.5 t -65.75 -44.86 93.05 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.251 0 N-CA-C 108.888 -0.782 . . . . 0.0 108.888 174.511 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1965 ' ' LEU . . . . . 0.558 HD11 ' HA ' ' A' 1962 ' ' SER . 83.0 mt -55.53 -49.67 72.02 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.369 -0.832 . . . . 0.0 110.679 177.439 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1966 ' ' ALA . . . . . . . . . . . . . . . -63.01 -26.83 69.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.697 -179.532 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1967 ' ' ALA . . . . . . . . . . . . . . . -78.72 -34.86 45.64 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.075 0.464 . . . . 0.0 110.932 179.199 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1968 ' ' LEU . . . . . 0.571 ' HB3' ' HG3' ' A' 1854 ' ' GLN . 45.8 mt -79.05 -38.81 35.55 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.804 -0.634 . . . . 0.0 111.194 -176.236 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1969 ' ' GLN . . . . . . . . . . . . . 2.8 mp0 . . . . . 0 C--N 1.328 -0.362 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.291 176.452 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A 1850 ' ' PHE . . . . . . . . . . . . . 72.4 t80 . . . . . 0 N--CA 1.453 -0.276 0 CA-C-O 120.686 0.279 . . . . 0.0 110.74 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A 1851 ' ' VAL . . . . . . . . . . . . . 35.4 m -54.83 -37.6 41.42 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.182 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.995 178.529 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1852 ' ' ASP . . . . . . . . . . . . . 31.7 t70 -72.5 -51.76 18.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.768 0.318 . . . . 0.0 110.425 -177.013 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1853 ' ' TYR . . . . . 0.435 ' O ' ' HG2' ' A' 1857 ' ' MET . 75.1 m-85 -61.0 -40.83 95.0 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.953 179.824 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1854 ' ' GLN . . . . . 0.849 ' HG3' ' HB3' ' A' 1968 ' ' LEU . 6.4 tt0 -56.03 -60.25 3.75 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.812 0.339 . . . . 0.0 110.374 176.27 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1855 ' ' THR . . . . . 0.657 ' O ' ' HG2' ' A' 1859 ' ' ARG . 17.3 m -59.25 -45.96 89.77 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.615 -175.83 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1856 ' ' THR . . . . . 0.463 HG21 ' N ' ' A' 1857 ' ' MET . 2.9 t -63.37 -45.8 89.48 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.846 -172.663 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1857 ' ' MET . . . . . 0.62 ' HB2' HD11 ' A' 1896 ' ' LEU . 22.6 ptm -82.63 -25.3 33.27 Favored 'General case' 0 C--N 1.329 -0.306 0 O-C-N 122.028 -0.42 . . . . 0.0 111.669 -172.501 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1858 ' ' VAL . . . . . 0.459 HG11 ' O ' ' A' 1854 ' ' GLN . 25.7 m -71.45 -31.15 42.06 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.108 0 C-N-CA 119.773 -0.771 . . . . 0.0 109.667 174.515 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1859 ' ' ARG . . . . . 0.657 ' HG2' ' O ' ' A' 1855 ' ' THR . 22.6 mmt180 -68.64 -35.24 77.01 Favored 'General case' 0 C--N 1.333 -0.148 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 173.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1860 ' ' THR . . . . . . . . . . . . . 29.4 m -68.71 -39.51 80.43 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.266 -0.879 . . . . 0.0 110.516 177.805 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1861 ' ' ALA . . . . . . . . . . . . . . . -62.68 -37.24 85.65 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.085 0.469 . . . . 0.0 110.607 177.218 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1862 ' ' LYS . . . . . 0.424 ' HD2' ' HA ' ' A' 1859 ' ' ARG . 53.8 mttm -66.18 -37.18 84.99 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.415 176.478 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1863 ' ' ALA . . . . . . . . . . . . . . . -63.4 -39.7 95.21 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.208 0.527 . . . . 0.0 110.4 175.767 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1864 ' ' ILE . . . . . 0.629 ' O ' HG13 ' A' 1868 ' ' VAL . 79.6 mt -63.56 -48.41 87.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.031 174.93 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1865 ' ' ALA . . . . . 0.746 ' HB2' HG23 ' A' 1961 ' ' VAL . . . -57.43 -41.68 80.93 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.92 -0.582 . . . . 0.0 112.376 -177.469 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1866 ' ' VAL . . . . . 0.44 ' O ' ' HG3' ' A' 1870 ' ' GLU . 13.5 p -72.46 -33.15 44.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 C-N-CA 120.644 -0.422 . . . . 0.0 110.361 179.231 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1867 ' ' THR . . . . . 0.654 ' O ' ' HG3' ' A' 1871 ' ' MET . 97.3 m -64.77 -51.44 62.25 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.694 -0.23 . . . . 0.0 110.805 178.224 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1868 ' ' VAL . . . . . 0.629 HG13 ' O ' ' A' 1864 ' ' ILE . 3.2 m -60.5 -29.57 44.81 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.286 0 CA-C-O 121.706 0.765 . . . . 0.0 110.079 -179.319 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1869 ' ' GLN . . . . . . . . . . . . . 7.4 tp-100 -77.34 -33.63 55.36 Favored 'General case' 0 N--CA 1.424 -1.762 0 CA-C-N 114.731 -1.122 . . . . 0.0 110.004 -178.396 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1870 ' ' GLU . . . . . 0.535 ' O ' ' HG2' ' A' 1874 ' ' LYS . 47.8 mt-10 -70.17 -38.72 75.47 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.115 172.682 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1871 ' ' MET . . . . . 0.654 ' HG3' ' O ' ' A' 1867 ' ' THR . 64.5 mtp -57.88 -43.04 85.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.059 -178.157 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1872 ' ' VAL . . . . . 0.455 ' CG1' ' HA ' ' A' 1951 ' ' ILE . 32.1 m -74.25 -28.85 23.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.801 0.334 . . . . 0.0 111.212 179.05 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1873 ' ' THR . . . . . . . . . . . . . 78.8 m -71.79 -48.71 44.7 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.433 178.202 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1874 ' ' LYS . . . . . 0.535 ' HG2' ' O ' ' A' 1870 ' ' GLU . 75.6 mmtt -66.41 -42.29 88.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.68 -175.827 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1875 ' ' SER . . . . . 0.608 ' HB3' HD11 ' A' 1882 ' ' LEU . 6.2 p -56.56 -14.24 3.0 Favored 'General case' 0 N--CA 1.468 0.461 0 N-CA-C 113.177 0.806 . . . . 0.0 113.177 -171.836 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1876 ' ' ASN . . . . . . . . . . . . . 52.3 m-80 -58.83 -46.33 87.94 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.78 0.324 . . . . 0.0 110.437 174.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1877 ' ' THR . . . . . . . . . . . . . 76.8 p -124.73 -23.89 4.25 Favored 'General case' 0 CA--C 1.534 0.355 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.959 -178.289 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1878 ' ' SER . . . . . 0.424 ' HB2' ' HB3' ' A' 1874 ' ' LYS . 70.5 m -109.27 98.92 33.86 Favored Pre-proline 0 C--N 1.325 -0.471 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.666 -174.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1879 ' ' PRO . . . . . 0.816 ' HA ' HD13 ' A' 1882 ' ' LEU . 33.1 Cg_endo -96.48 -18.88 0.25 Allowed 'Trans proline' 0 N--CA 1.442 -1.51 0 C-N-CA 121.985 1.79 . . . . 0.0 112.295 172.195 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1880 ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -80.14 -43.81 20.99 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 121.014 0.435 . . . . 0.0 109.98 178.659 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1881 ' ' GLU . . . . . . . . . . . . . 26.6 tt0 -59.38 -14.61 12.56 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.36 -0.836 . . . . 0.0 111.345 178.581 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1882 ' ' LEU . . . . . 0.816 HD13 ' HA ' ' A' 1879 ' ' PRO . 5.8 mt -70.78 -16.86 62.78 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.287 -0.87 . . . . 0.0 112.112 -179.276 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1883 ' ' GLY . . . . . . . . . . . . . . . -62.95 -60.59 7.44 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.68 -0.771 . . . . 0.0 111.983 176.745 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1884 ' ' PRO . . . . . . . . . . . . . 61.1 Cg_exo -51.92 -44.7 43.45 Favored 'Trans proline' 0 C--N 1.348 0.502 0 C-N-CA 122.594 2.196 . . . . 0.0 112.439 174.652 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1885 ' ' LEU . . . . . 0.502 HD11 ' HG3' ' A' 1874 ' ' LYS . 65.0 mt -60.75 -44.22 96.98 Favored 'General case' 0 C--N 1.332 -0.165 0 N-CA-C 111.893 0.331 . . . . 0.0 111.893 -177.648 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1886 ' ' ALA . . . . . . . . . . . . . . . -61.96 -46.69 88.2 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.086 0.47 . . . . 0.0 110.818 179.632 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1887 ' ' ASN . . . . . . . . . . . . . 43.3 m-80 -68.54 -27.09 65.78 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.682 178.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1888 ' ' GLN . . . . . . . . . . . . . 27.9 tp60 -68.64 -47.08 67.51 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.144 178.056 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1889 ' ' LEU . . . . . 0.497 HD23 ' SG ' ' A' 1927 ' ' CYS . 1.0 OUTLIER -58.29 -45.24 88.31 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.162 -0.681 . . . . 0.0 109.162 175.883 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A 1890 ' ' THR . . . . . . . . . . . . . 33.1 m -57.85 -43.65 86.02 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.229 -0.896 . . . . 0.0 111.249 179.703 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1891 ' ' SER . . . . . . . . . . . . . 29.1 t -62.41 -55.24 29.7 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.589 -178.102 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1892 ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -66.63 -35.27 79.77 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 111.85 0.315 . . . . 0.0 111.85 -175.328 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1893 ' ' TYR . . . . . . . . . . . . . 50.6 t80 -60.55 -37.51 81.49 Favored 'General case' 0 C--N 1.332 -0.19 0 C-N-CA 120.401 -0.519 . . . . 0.0 110.582 177.281 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1894 ' ' GLY . . . . . . . . . . . . . . . -57.85 -41.32 94.05 Favored Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 120.772 -0.728 . . . . 0.0 111.699 178.111 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1895 ' ' ARG . . . . . . . . . . . . . 77.8 ttt180 -66.37 -44.93 81.78 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.957 0.408 . . . . 0.0 110.399 177.032 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1896 ' ' LEU . . . . . 0.62 HD11 ' HB2' ' A' 1857 ' ' MET . 53.4 tp -56.84 -53.36 58.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.745 -0.661 . . . . 0.0 111.035 178.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1897 ' ' ALA . . . . . . . . . . . . . . . -64.57 -23.39 67.25 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.966 -179.515 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1898 ' ' SER . . . . . . . . . . . . . 47.0 t -76.85 -37.81 54.91 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.184 -178.129 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1899 ' ' GLN . . . . . . . . . . . . . 25.5 mm-40 -77.01 -21.27 54.9 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.88 0.371 . . . . 0.0 110.383 179.495 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1900 ' ' ALA . . . . . 0.427 ' HA ' ' HE3' ' A' 1857 ' ' MET . . . -64.28 -31.81 73.15 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.671 -0.695 . . . . 0.0 111.618 -179.157 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1901 ' ' LYS . . . . . 0.67 ' HB3' ' HD3' ' A' 1902 ' ' PRO . 2.0 tmtp? -71.29 -58.17 4.09 Favored Pre-proline 0 CA--C 1.54 0.572 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.261 -175.45 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1902 ' ' PRO . . . . . 0.67 ' HD3' ' HB3' ' A' 1901 ' ' LYS . 11.3 Cg_exo -71.39 -17.45 30.58 Favored 'Trans proline' 0 C--N 1.353 0.805 0 C-N-CA 122.087 1.858 . . . . 0.0 112.197 -177.42 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1903 ' ' ALA . . . . . . . . . . . . . . . -74.61 -35.02 62.94 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.979 0.419 . . . . 0.0 110.347 176.521 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1904 ' ' ALA . . . . . . . . . . . . . . . -73.15 -29.85 63.16 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.658 -177.366 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1905 ' ' VAL . . . . . 0.5 HG21 ' HA ' ' A' 1902 ' ' PRO . 32.6 m -89.93 -12.74 9.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.993 179.166 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1906 ' ' ALA . . . . . . . . . . . . . . . -82.72 -45.18 14.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.27 -0.423 . . . . 0.0 109.912 176.818 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1907 ' ' ALA . . . . . . . . . . . . . . . -67.77 131.29 45.27 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.635 178.427 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1908 ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -91.55 -23.7 19.84 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.46 -178.786 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1909 ' ' ASN . . . . . 0.42 ' HB2' HD12 ' A' 1912 ' ' ILE . 95.0 m-20 -74.66 135.84 41.92 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.929 -0.397 . . . . 0.0 109.929 177.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1910 ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -56.33 -53.81 52.86 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.483 -0.78 . . . . 0.0 112.617 -170.632 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1911 ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 -72.73 -32.03 65.39 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 112.783 0.661 . . . . 0.0 112.783 -171.502 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1912 ' ' ILE . . . . . 0.532 ' O ' HG13 ' A' 1916 ' ' ILE . 48.6 mt -54.15 -53.99 24.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 C-N-CA 120.741 -0.384 . . . . 0.0 110.513 -179.535 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1913 ' ' GLY . . . . . . . . . . . . . . . -69.79 -27.17 73.54 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.433 -179.283 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1914 ' ' ALA . . . . . . . . . . . . . . . -73.31 -47.52 41.99 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.56 0.219 . . . . 0.0 110.738 -179.038 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1915 ' ' HIS . . . . . 0.447 ' O ' ' HG2' ' A' 1919 ' ' ARG . 71.4 m-70 -59.11 -41.96 89.39 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.122 -177.668 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1916 ' ' ILE . . . . . 0.532 HG13 ' O ' ' A' 1912 ' ' ILE . 81.4 mt -53.93 -59.25 2.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.398 -178.683 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1917 ' ' LYS . . . . . 0.492 ' HB2' ' HZ1' ' A' 1917 ' ' LYS . 8.8 mtmp? -67.88 -27.98 67.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.139 -177.179 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1918 ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -67.18 -39.79 86.46 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.084 177.337 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1919 ' ' ARG . . . . . 0.504 ' HD2' ' HB3' ' A' 1963 ' ' HIS . 29.9 mmt180 -81.53 -34.25 31.31 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 112.095 0.406 . . . . 0.0 112.095 -175.281 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1920 ' ' VAL . . . . . 0.468 HG22 ' HA ' ' A' 1917 ' ' LYS . 33.2 m -68.61 -24.35 29.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 C-N-CA 120.385 -0.526 . . . . 0.0 110.111 176.829 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1921 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.59 -41.0 98.38 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 115.971 -0.558 . . . . 0.0 109.536 175.059 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1922 ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -61.83 -46.36 89.83 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.392 177.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1923 ' ' LEU . . . . . 0.415 HD11 ' HA ' ' A' 1961 ' ' VAL . 19.9 mt -67.72 -23.31 65.25 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.109 178.765 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1924 ' ' GLY . . . . . . . . . . . . . . . -60.48 -51.89 55.96 Favored Glycine 0 N--CA 1.449 -0.45 0 C-N-CA 120.737 -0.744 . . . . 0.0 111.581 175.045 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1925 ' ' HIS . . . . . . . . . . . . . 31.5 m80 -72.63 -28.08 62.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.751 0.31 . . . . 0.0 110.736 178.062 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1926 ' ' GLY . . . . . . . . . . . . . . . -70.68 -46.12 48.71 Favored Glycine 0 N--CA 1.449 -0.456 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.27 178.754 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1927 ' ' CYS . . . . . 0.497 ' SG ' HD23 ' A' 1889 ' ' LEU . 43.7 t -62.1 -50.21 72.85 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.602 0.239 . . . . 0.0 110.421 178.853 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1928 ' ' SER . . . . . 0.406 ' HA ' HG22 ' A' 1931 ' ' VAL . 10.8 p -61.19 -38.61 87.15 Favored 'General case' 0 N--CA 1.452 -0.338 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.081 -178.529 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1929 ' ' ALA . . . . . . . . . . . . . . . -61.59 -49.93 74.64 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.786 0.327 . . . . 0.0 110.623 176.745 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1930 ' ' LEU . . . . . 0.446 HD22 ' HA ' ' A' 1930 ' ' LEU . 10.8 mt -62.53 -49.5 75.08 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.976 -178.74 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1931 ' ' VAL . . . . . 0.406 HG22 ' HA ' ' A' 1928 ' ' SER . 22.8 m -64.76 -31.89 55.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 C-N-CA 120.911 -0.316 . . . . 0.0 111.273 -175.621 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1932 ' ' THR . . . . . . . . . . . . . 63.8 m -71.53 -44.99 63.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.495 -0.321 . . . . 0.0 110.471 177.842 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1933 ' ' LYS . . . . . 0.416 ' HD3' ' HA ' ' A' 1933 ' ' LYS . 70.9 mmtt -71.13 -35.37 71.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.212 -179.774 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1934 ' ' ALA . . . . . . . . . . . . . . . -62.83 -47.85 81.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.858 0.361 . . . . 0.0 110.255 176.338 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1935 ' ' GLY . . . . . . . . . . . . . . . -64.4 -37.61 94.7 Favored Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 120.79 -0.719 . . . . 0.0 111.795 177.071 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1936 ' ' ALA . . . . . . . . . . . . . . . -65.49 -43.76 89.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.646 0.26 . . . . 0.0 110.991 178.312 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1937 ' ' LEU . . . . . . . . . . . . . 46.8 tp -67.52 -34.67 77.57 Favored 'General case' 0 CA--C 1.513 -0.466 0 CA-C-O 120.882 0.372 . . . . 0.0 110.37 178.73 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1938 ' ' GLN . . . . . . . . . . . . . 32.2 tt0 -62.05 -31.4 71.81 Favored 'General case' 0 N--CA 1.446 -0.643 0 CA-C-O 121.127 0.489 . . . . 0.0 110.231 179.219 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1939 ' ' CYS . . . . . . . . . . . . . 55.7 m -85.91 -16.98 36.78 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.016 179.378 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1940 ' ' SER . . . . . . . . . . . . . 60.1 m -150.92 78.97 7.17 Favored Pre-proline 0 C--N 1.326 -0.447 0 CA-C-O 120.918 0.39 . . . . 0.0 111.352 -177.845 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1941 ' ' PRO . . . . . . . . . . . . . 11.6 Cg_exo -74.09 -10.65 22.92 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 123.225 2.617 . . . . 0.0 112.033 -179.413 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1942 ' ' SER . . . . . . . . . . . . . 40.9 t -74.82 -23.76 58.52 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.09 178.139 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1943 ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -79.89 110.59 15.4 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.814 -178.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1944 ' ' VAL . . . . . 0.634 ' O ' ' HG3' ' A' 1948 ' ' LYS . 10.4 p -72.62 -32.21 40.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 N-CA-C 109.072 -0.714 . . . . 0.0 109.072 176.644 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1945 ' ' TYR . . . . . 0.49 ' O ' ' HG3' ' A' 1949 ' ' GLU . 49.5 m-85 -58.81 -51.29 70.62 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.307 -0.861 . . . . 0.0 110.101 179.741 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1946 ' ' THR . . . . . . . . . . . . . 78.2 m -60.86 -42.15 97.3 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.352 -0.84 . . . . 0.0 111.089 178.595 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1947 ' ' LYS . . . . . . . . . . . . . 36.3 ttpt -63.08 -51.49 66.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.967 -178.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1948 ' ' LYS . . . . . 0.763 ' HZ1' ' HB3' ' A' 1948 ' ' LYS . 7.4 mtpm? -61.49 -35.92 79.02 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.992 -174.416 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1949 ' ' GLU . . . . . 0.49 ' HG3' ' O ' ' A' 1945 ' ' TYR . 41.5 mt-10 -58.19 -30.03 66.12 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.014 0.435 . . . . 0.0 110.663 178.094 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1950 ' ' LEU . . . . . . . . . . . . . 8.2 tt -70.18 -47.64 60.65 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.974 -0.557 . . . . 0.0 109.512 177.184 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1951 ' ' ILE . . . . . 0.455 ' HA ' ' CG1' ' A' 1872 ' ' VAL . 3.1 mp -61.0 -50.19 81.63 Favored 'Isoleucine or valine' 0 C--O 1.235 0.327 0 CA-C-O 121.073 0.463 . . . . 0.0 110.418 177.525 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1952 ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -65.08 -23.6 67.21 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.415 -0.811 . . . . 0.0 111.557 -175.855 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1953 ' ' CYS . . . . . . . . . . . . . 47.4 t -86.97 -43.95 11.98 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.557 0.217 . . . . 0.0 111.199 179.669 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1954 ' ' ALA . . . . . 0.439 ' HA ' HG23 ' A' 1957 ' ' VAL . . . -63.11 -40.1 96.64 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 112.266 0.469 . . . . 0.0 112.266 -174.485 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1955 ' ' ARG . . . . . . . . . . . . . 6.9 ppt_? -65.89 -22.98 66.55 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 120.709 -0.396 . . . . 0.0 110.967 178.536 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1956 ' ' ARG . . . . . . . . . . . . . 78.9 mtp180 -81.07 -44.42 18.03 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.22 176.684 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1957 ' ' VAL . . . . . 0.545 ' O ' HG13 ' A' 1961 ' ' VAL . 14.1 m -67.48 -22.61 28.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 C-N-CA 120.994 -0.282 . . . . 0.0 111.168 -177.152 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1958 ' ' SER . . . . . 0.633 ' O ' HG22 ' A' 1961 ' ' VAL . 30.3 t -61.88 -23.99 66.65 Favored 'General case' 0 CA--C 1.534 0.34 0 CA-C-O 121.057 0.456 . . . . 0.0 110.065 175.896 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1959 ' ' GLU . . . . . . . . . . . . . 35.0 mm-40 -80.57 -35.48 34.22 Favored 'General case' 0 C--N 1.327 -0.406 0 O-C-N 122.014 -0.429 . . . . 0.0 110.839 173.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1960 ' ' LYS . . . . . . . . . . . . . 93.4 mttt -64.72 -34.17 77.69 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.307 179.846 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1961 ' ' VAL . . . . . 0.746 HG23 ' HB2' ' A' 1865 ' ' ALA . 3.8 m -69.03 -32.85 55.99 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-O 121.076 0.465 . . . . 0.0 109.979 175.726 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1962 ' ' SER . . . . . 0.456 ' HA ' HD11 ' A' 1965 ' ' LEU . 32.7 t -71.56 -26.32 62.58 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-N 115.739 -0.664 . . . . 0.0 109.585 178.433 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1963 ' ' HIS . . . . . 0.504 ' HB3' ' HD2' ' A' 1919 ' ' ARG . 66.8 m170 -69.55 -34.51 74.31 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.711 -0.677 . . . . 0.0 109.992 177.611 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1964 ' ' VAL . . . . . 0.549 HG12 HD12 ' A' 1896 ' ' LEU . 96.3 t -63.37 -44.43 98.99 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.198 0 N-CA-C 109.444 -0.576 . . . . 0.0 109.444 172.827 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1965 ' ' LEU . . . . . 0.488 ' HG ' ' O ' ' A' 1961 ' ' VAL . 61.0 mt -55.59 -47.7 76.06 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.467 -0.788 . . . . 0.0 110.727 179.596 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1966 ' ' ALA . . . . . . . . . . . . . . . -68.55 -44.77 73.8 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.575 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1967 ' ' ALA . . . . . . . . . . . . . . . -57.74 -47.46 82.38 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.679 -178.214 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1968 ' ' LEU . . . . . 0.849 ' HB3' ' HG3' ' A' 1854 ' ' GLN . 4.4 mm? -72.08 -37.82 69.52 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.441 -177.831 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1969 ' ' GLN . . . . . . . . . . . . . 48.1 mt-30 . . . . . 0 C--N 1.326 -0.44 0 CA-C-O 120.849 0.357 . . . . 0.0 111.166 -178.91 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A 1850 ' ' PHE . . . . . . . . . . . . . 75.3 t80 . . . . . 0 C--O 1.232 0.149 0 CA-C-O 121.05 0.452 . . . . 0.0 110.444 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A 1851 ' ' VAL . . . . . . . . . . . . . 26.8 m -59.46 -23.97 26.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.931 -179.154 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1852 ' ' ASP . . . . . . . . . . . . . 33.9 t70 -71.97 -49.77 34.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.768 0.318 . . . . 0.0 110.157 179.224 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1853 ' ' TYR . . . . . 0.613 ' O ' ' HG2' ' A' 1857 ' ' MET . 39.8 m-85 -61.39 -42.81 99.32 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 109.198 -0.667 . . . . 0.0 109.198 176.178 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1854 ' ' GLN . . . . . 0.786 ' HG3' ' HB3' ' A' 1968 ' ' LEU . 27.4 tt0 -48.84 -60.05 3.07 Favored 'General case' 0 CA--C 1.521 -0.146 0 CA-C-N 115.239 -0.892 . . . . 0.0 110.388 174.879 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1855 ' ' THR . . . . . 0.59 ' O ' ' HG2' ' A' 1859 ' ' ARG . 34.8 m -54.69 -37.77 66.19 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.281 -178.501 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1856 ' ' THR . . . . . 0.512 HG22 ' N ' ' A' 1857 ' ' MET . 1.0 OUTLIER -68.01 -57.77 5.6 Favored 'General case' 0 N--CA 1.445 -0.681 0 N-CA-C 112.239 0.459 . . . . 0.0 112.239 -177.576 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A 1857 ' ' MET . . . . . 0.613 ' HG2' ' O ' ' A' 1853 ' ' TYR . 9.6 ptm -78.88 -18.18 54.36 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 111.966 0.358 . . . . 0.0 111.966 -170.648 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1858 ' ' VAL . . . . . . . . . . . . . 33.6 m -71.73 -33.82 49.87 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.174 0 C-N-CA 119.628 -0.829 . . . . 0.0 109.504 171.257 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1859 ' ' ARG . . . . . 0.59 ' HG2' ' O ' ' A' 1855 ' ' THR . 9.7 mmm180 -65.77 -39.65 91.25 Favored 'General case' 0 CA--C 1.52 -0.189 0 N-CA-C 109.396 -0.594 . . . . 0.0 109.396 173.663 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1860 ' ' THR . . . . . 0.409 HG23 ' HD3' ' A' 1895 ' ' ARG . 6.6 m -61.51 -46.14 91.24 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.503 176.552 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1861 ' ' ALA . . . . . . . . . . . . . . . -59.25 -45.19 91.86 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.842 178.019 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1862 ' ' LYS . . . . . . . . . . . . . 53.9 mttm -62.27 -39.09 91.76 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.527 177.374 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1863 ' ' ALA . . . . . . . . . . . . . . . -65.32 -44.54 87.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.531 178.725 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1864 ' ' ILE . . . . . . . . . . . . . 75.0 mt -61.29 -43.14 95.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 116.228 -0.442 . . . . 0.0 109.949 175.189 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1865 ' ' ALA . . . . . 0.737 ' HB1' HG22 ' A' 1961 ' ' VAL . . . -58.65 -50.07 75.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.655 179.494 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1866 ' ' VAL . . . . . 0.57 ' O ' ' HG3' ' A' 1870 ' ' GLU . 13.3 p -67.89 -32.54 56.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 C-N-CA 120.572 -0.451 . . . . 0.0 110.448 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1867 ' ' THR . . . . . 0.659 ' O ' ' HG3' ' A' 1871 ' ' MET . 91.9 m -65.51 -53.17 46.26 Favored 'General case' 0 N--CA 1.452 -0.328 0 C-N-CA 120.957 -0.297 . . . . 0.0 110.384 177.506 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1868 ' ' VAL . . . . . 0.542 ' HA ' ' SD ' ' A' 1871 ' ' MET . 30.5 m -63.07 -33.85 63.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.785 -177.475 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1869 ' ' GLN . . . . . 0.553 ' HG2' ' HA ' ' A' 1866 ' ' VAL . 2.4 pt20 -76.58 -24.75 53.51 Favored 'General case' 0 N--CA 1.451 -0.401 0 C-N-CA 120.752 -0.379 . . . . 0.0 110.303 179.713 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1870 ' ' GLU . . . . . 0.57 ' HG3' ' O ' ' A' 1866 ' ' VAL . 30.6 mt-10 -70.4 -38.2 74.62 Favored 'General case' 0 CA--C 1.516 -0.347 0 N-CA-C 109.713 -0.477 . . . . 0.0 109.713 172.042 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1871 ' ' MET . . . . . 0.659 ' HG3' ' O ' ' A' 1867 ' ' THR . 39.3 mtp -58.68 -39.76 81.61 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.841 -179.165 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1872 ' ' VAL . . . . . 1.059 ' HB ' HG13 ' A' 1951 ' ' ILE . 1.9 m -73.57 -29.19 26.38 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.301 0 CA-C-O 121.387 0.613 . . . . 0.0 110.642 179.621 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1873 ' ' THR . . . . . . . . . . . . . 54.2 m -80.21 -45.3 18.26 Favored 'General case' 0 C--N 1.315 -0.933 0 CA-C-N 115.194 -0.912 . . . . 0.0 111.097 -177.283 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1874 ' ' LYS . . . . . . . . . . . . . 72.3 mmtt -64.68 -40.75 95.93 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.961 -179.005 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1875 ' ' SER . . . . . 0.563 ' HB3' HD13 ' A' 1882 ' ' LEU . 5.5 p -58.64 -16.03 14.32 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 112.861 0.689 . . . . 0.0 112.861 -173.562 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1876 ' ' ASN . . . . . . . . . . . . . 90.7 m-20 -77.66 -16.07 58.76 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 111.488 0.181 . . . . 0.0 111.488 -179.735 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1877 ' ' THR . . . . . . . . . . . . . 13.6 p -141.91 -46.86 0.36 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.299 0.571 . . . . 0.0 111.381 -179.474 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1878 ' ' SER . . . . . . . . . . . . . 73.5 m -110.19 101.55 48.2 Favored Pre-proline 0 C--N 1.321 -0.643 0 CA-C-N 115.466 -0.788 . . . . 0.0 111.442 -176.038 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1879 ' ' PRO . . . . . 0.782 ' HA ' HD12 ' A' 1882 ' ' LEU . 43.3 Cg_endo -88.19 -12.49 4.01 Favored 'Trans proline' 0 N--CA 1.443 -1.473 0 C-N-CA 121.47 1.446 . . . . 0.0 111.37 173.879 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1880 ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -75.69 -39.03 58.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.171 179.224 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1881 ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -67.98 -12.68 61.22 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.299 0.571 . . . . 0.0 110.808 -178.777 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1882 ' ' LEU . . . . . 0.782 HD12 ' HA ' ' A' 1879 ' ' PRO . 0.5 OUTLIER -72.72 -15.84 61.67 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.366 -0.834 . . . . 0.0 112.056 -177.941 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A 1883 ' ' GLY . . . . . . . . . . . . . . . -66.3 -60.83 5.94 Favored Glycine 0 CA--C 1.519 0.29 0 C-N-CA 120.684 -0.77 . . . . 0.0 111.944 177.357 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1884 ' ' PRO . . . . . . . . . . . . . 47.1 Cg_exo -56.8 -36.03 98.4 Favored 'Trans proline' 0 C--N 1.349 0.578 0 C-N-CA 122.599 2.199 . . . . 0.0 112.315 175.718 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1885 ' ' LEU . . . . . . . . . . . . . 41.9 mt -64.03 -43.03 96.82 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.597 0.237 . . . . 0.0 111.43 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1886 ' ' ALA . . . . . . . . . . . . . . . -61.55 -45.27 94.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.939 0.4 . . . . 0.0 110.419 177.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1887 ' ' ASN . . . . . . . . . . . . . 34.1 t-20 -63.72 -38.28 90.54 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.985 -0.552 . . . . 0.0 109.814 177.464 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1888 ' ' GLN . . . . . . . . . . . . . 36.0 tp60 -61.31 -49.62 76.29 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.74 -179.721 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1889 ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -57.23 -47.3 81.67 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.399 0.619 . . . . 0.0 109.365 176.801 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1890 ' ' THR . . . . . . . . . . . . . 55.1 m -58.42 -43.94 88.88 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.054 -0.975 . . . . 0.0 111.541 -178.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1891 ' ' SER . . . . . . . . . . . . . 9.1 t -69.79 -40.41 76.03 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.357 -175.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1892 ' ' ASP . . . . . 0.452 ' O ' ' HB3' ' A' 1895 ' ' ARG . 0.5 OUTLIER -79.98 -24.84 40.64 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 112.404 0.52 . . . . 0.0 112.404 -176.699 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A 1893 ' ' TYR . . . . . . . . . . . . . 30.2 t80 -61.2 -44.3 97.51 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 119.938 -0.705 . . . . 0.0 110.224 174.561 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1894 ' ' GLY . . . . . . . . . . . . . . . -59.29 -37.88 92.51 Favored Glycine 0 C--N 1.332 0.353 0 C-N-CA 120.677 -0.773 . . . . 0.0 111.474 177.261 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1895 ' ' ARG . . . . . 0.452 ' HB3' ' O ' ' A' 1892 ' ' ASP . 62.6 ttt180 -58.9 -52.92 63.66 Favored 'General case' 0 C--N 1.325 -0.494 0 C-N-CA 122.886 0.475 . . . . 0.0 110.438 174.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1896 ' ' LEU . . . . . 0.473 HD22 HG21 ' A' 1964 ' ' VAL . 62.1 tp -61.1 -47.54 85.82 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.646 -0.706 . . . . 0.0 111.384 -179.465 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1897 ' ' ALA . . . . . . . . . . . . . . . -64.38 -24.61 67.7 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.872 -176.741 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1898 ' ' SER . . . . . . . . . . . . . 71.2 m -81.93 -27.64 33.21 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.753 0.311 . . . . 0.0 110.655 -177.877 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1899 ' ' GLN . . . . . . . . . . . . . 82.2 mm-40 -79.72 -14.21 58.9 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.329 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1900 ' ' ALA . . . . . . . . . . . . . . . -68.23 -27.09 66.06 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.668 -0.697 . . . . 0.0 111.089 179.59 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1901 ' ' LYS . . . . . 0.464 ' HB3' ' HD3' ' A' 1902 ' ' PRO . 78.6 tttt -74.31 -58.58 1.87 Allowed Pre-proline 0 CA--C 1.538 0.516 0 C-N-CA 120.918 -0.313 . . . . 0.0 111.762 -177.697 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1902 ' ' PRO . . . . . 0.464 ' HD3' ' HB3' ' A' 1901 ' ' LYS . 37.9 Cg_endo -66.65 -22.6 50.33 Favored 'Trans proline' 0 C--N 1.357 1.019 0 C-N-CA 121.993 1.795 . . . . 0.0 112.27 -178.2 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1903 ' ' ALA . . . . . . . . . . . . . . . -75.15 -36.61 61.55 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.707 177.698 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1904 ' ' ALA . . . . . . . . . . . . . . . -69.06 -35.05 76.12 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.071 0.462 . . . . 0.0 110.578 -176.007 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1905 ' ' VAL . . . . . . . . . . . . . 31.0 m -85.14 -22.98 7.36 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-N 115.715 -0.675 . . . . 0.0 111.511 -178.495 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1906 ' ' ALA . . . . . . . . . . . . . . . -92.54 -4.96 52.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.88 0.371 . . . . 0.0 111.106 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1907 ' ' ALA . . . . . 0.426 ' HB2' ' HB ' ' A' 1912 ' ' ILE . . . -67.71 144.58 55.39 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.692 178.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1908 ' ' GLU . . . . . . . . . . . . . 16.7 mp0 -77.74 -24.38 49.07 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.575 -178.623 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1909 ' ' ASN . . . . . . . . . . . . . 63.6 m-20 -129.32 157.27 42.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.934 -0.575 . . . . 0.0 111.046 -178.278 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1910 ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -56.36 -54.13 49.13 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.715 -0.675 . . . . 0.0 111.356 178.613 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1911 ' ' GLU . . . . . . . . . . . . . 30.5 mt-10 -60.28 -39.24 86.2 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.718 -0.674 . . . . 0.0 111.843 -172.683 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1912 ' ' ILE . . . . . 0.505 ' O ' HG13 ' A' 1916 ' ' ILE . 63.4 mt -54.53 -53.2 33.21 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 O-C-N 123.267 0.354 . . . . 0.0 110.282 -179.071 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1913 ' ' GLY . . . . . . . . . . . . . . . -74.01 -31.49 59.79 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.812 -0.709 . . . . 0.0 112.432 -179.34 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1914 ' ' ALA . . . . . 0.429 ' O ' ' HD2' ' A' 1918 ' ' HIS . . . -68.81 -49.25 60.12 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.762 0.315 . . . . 0.0 110.382 -178.898 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1915 ' ' HIS . . . . . 0.649 ' O ' ' HG2' ' A' 1919 ' ' ARG . 66.2 m-70 -55.17 -42.78 73.59 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.574 -179.051 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1916 ' ' ILE . . . . . 0.505 HG13 ' O ' ' A' 1912 ' ' ILE . 96.1 mt -52.25 -53.11 20.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 115.729 -0.669 . . . . 0.0 111.109 178.061 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1917 ' ' LYS . . . . . . . . . . . . . 52.2 mtmt -67.72 -28.3 67.54 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.785 -0.643 . . . . 0.0 111.715 -175.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1918 ' ' HIS . . . . . 0.429 ' HD2' ' O ' ' A' 1914 ' ' ALA . 87.2 m-70 -74.08 -36.86 64.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.911 0.386 . . . . 0.0 110.518 176.841 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1919 ' ' ARG . . . . . 0.649 ' HG2' ' O ' ' A' 1915 ' ' HIS . 25.1 mmt180 -73.06 -40.79 64.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.688 -176.037 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1920 ' ' VAL . . . . . . . . . . . . . 27.6 m -68.06 -24.23 29.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 121.204 0.526 . . . . 0.0 110.21 177.23 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1921 ' ' GLN . . . . . . . . . . . . . 48.5 tp60 -70.24 -33.72 71.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.787 -0.642 . . . . 0.0 109.968 177.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1922 ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -62.22 -46.01 90.8 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 121.203 0.525 . . . . 0.0 110.237 176.098 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1923 ' ' LEU . . . . . 0.555 ' HG ' ' HB3' ' A' 1960 ' ' LYS . 25.2 mt -65.93 -23.23 66.58 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.54 -0.755 . . . . 0.0 111.905 -177.903 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1924 ' ' GLY . . . . . . . . . . . . . . . -53.97 -52.91 39.99 Favored Glycine 0 C--O 1.23 -0.15 0 C-N-CA 120.89 -0.672 . . . . 0.0 112.673 -179.284 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1925 ' ' HIS . . . . . . . . . . . . . 31.1 m80 -79.41 -21.09 46.08 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.816 0.341 . . . . 0.0 110.891 -178.693 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1926 ' ' GLY . . . . . . . . . . . . . . . -76.62 -44.11 16.86 Favored Glycine 0 N--CA 1.449 -0.444 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.513 -178.474 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1927 ' ' CYS . . . . . . . . . . . . . 60.2 m -65.48 -43.74 89.29 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.644 0.259 . . . . 0.0 110.611 -179.268 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1928 ' ' SER . . . . . . . . . . . . . 21.0 p -62.94 -39.39 94.47 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.13 -178.045 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1929 ' ' ALA . . . . . . . . . . . . . . . -67.93 -41.81 82.01 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.817 178.46 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1930 ' ' LEU . . . . . 0.512 ' HG ' ' HB3' ' A' 1953 ' ' CYS . 0.4 OUTLIER -66.0 -50.86 62.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.898 -177.389 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A 1931 ' ' VAL . . . . . . . . . . . . . 33.0 m -62.34 -27.97 43.71 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.17 0 CA-C-O 120.792 0.33 . . . . 0.0 111.136 -176.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1932 ' ' THR . . . . . . . . . . . . . 89.5 m -66.43 -46.59 75.98 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.376 175.424 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1933 ' ' LYS . . . . . 0.453 ' HZ2' ' CD ' ' A' 1949 ' ' GLU . 32.9 mmtp -72.04 -31.33 66.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.979 -178.555 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1934 ' ' ALA . . . . . . . . . . . . . . . -59.15 -50.2 74.96 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.97 0.414 . . . . 0.0 110.194 174.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1935 ' ' GLY . . . . . . . . . . . . . . . -67.82 -39.36 89.83 Favored Glycine 0 N--CA 1.448 -0.522 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.145 177.655 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1936 ' ' ALA . . . . . . . . . . . . . . . -61.07 -46.75 89.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.559 0.218 . . . . 0.0 111.186 179.569 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1937 ' ' LEU . . . . . 0.418 ' N ' HG23 ' A' 1946 ' ' THR . 25.2 tp -67.12 -35.13 79.08 Favored 'General case' 0 CA--C 1.511 -0.537 0 CA-C-O 120.918 0.389 . . . . 0.0 110.412 178.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1938 ' ' GLN . . . . . 0.434 ' HG3' ' O ' ' A' 1879 ' ' PRO . 35.4 tt0 -62.19 -31.53 72.06 Favored 'General case' 0 N--CA 1.444 -0.732 0 CA-C-O 121.285 0.564 . . . . 0.0 110.022 179.54 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1939 ' ' CYS . . . . . . . . . . . . . 56.2 m -86.35 -17.45 34.46 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.007 178.297 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1940 ' ' SER . . . . . . . . . . . . . 6.4 m -136.01 72.81 60.31 Favored Pre-proline 0 C--N 1.326 -0.415 0 CA-C-N 116.589 -0.278 . . . . 0.0 110.808 -177.165 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1941 ' ' PRO . . . . . . . . . . . . . 11.8 Cg_exo -72.32 -14.13 28.19 Favored 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.836 2.357 . . . . 0.0 112.425 -176.205 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1942 ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -90.4 -1.42 57.91 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.431 -179.706 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1943 ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -104.63 106.38 16.85 Favored 'General case' 0 CA--C 1.516 -0.347 0 CA-C-O 121.075 0.464 . . . . 0.0 111.349 179.759 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1944 ' ' VAL . . . . . 0.413 ' O ' ' HG2' ' A' 1948 ' ' LYS . 9.4 p -69.25 -25.21 28.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.028 177.553 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1945 ' ' TYR . . . . . . . . . . . . . 84.9 m-85 -55.21 -46.9 75.92 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.344 -0.844 . . . . 0.0 110.846 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1946 ' ' THR . . . . . 0.418 HG23 ' N ' ' A' 1937 ' ' LEU . 32.8 m -68.56 -38.37 80.7 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.693 179.56 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1947 ' ' LYS . . . . . . . . . . . . . 13.6 ttpp -63.14 -43.31 98.7 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.56 -178.481 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1948 ' ' LYS . . . . . 0.413 ' HG2' ' O ' ' A' 1944 ' ' VAL . 7.5 mmpt? -53.13 -51.66 61.22 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 121.11 0.481 . . . . 0.0 110.532 -179.843 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1949 ' ' GLU . . . . . 0.453 ' CD ' ' HZ2' ' A' 1933 ' ' LYS . 29.5 mt-10 -64.94 -28.96 69.88 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.289 -0.869 . . . . 0.0 111.537 -175.864 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1950 ' ' LEU . . . . . 0.475 HD11 HD21 ' A' 1882 ' ' LEU . 6.2 tt -64.45 -52.12 59.65 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.533 -0.543 . . . . 0.0 109.533 178.363 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1951 ' ' ILE . . . . . 1.059 HG13 ' HB ' ' A' 1872 ' ' VAL . 2.0 mp -62.81 -44.45 99.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 115.976 -0.556 . . . . 0.0 109.996 177.122 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1952 ' ' GLU . . . . . . . . . . . . . 24.2 mm-40 -56.2 -38.0 70.4 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.762 -0.654 . . . . 0.0 112.042 179.718 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1953 ' ' CYS . . . . . 0.512 ' HB3' ' HG ' ' A' 1930 ' ' LEU . 9.1 t -75.89 -38.92 57.33 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 120.646 0.26 . . . . 0.0 110.819 -177.626 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1954 ' ' ALA . . . . . 0.511 ' HA ' HG22 ' A' 1957 ' ' VAL . . . -66.5 -44.12 83.48 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 111.805 0.298 . . . . 0.0 111.805 -176.88 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1955 ' ' ARG . . . . . 0.45 ' HG2' ' O ' ' A' 1951 ' ' ILE . 3.7 ptp180 -62.82 -24.41 67.75 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.114 0.483 . . . . 0.0 110.733 178.616 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1956 ' ' ARG . . . . . . . . . . . . . 65.2 mtp180 -80.22 -48.46 13.07 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.877 176.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1957 ' ' VAL . . . . . 0.564 ' O ' HG11 ' A' 1961 ' ' VAL . 20.6 m -67.26 -29.05 44.56 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 C-N-CA 121.038 -0.265 . . . . 0.0 111.551 -176.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1958 ' ' SER . . . . . 0.705 ' O ' HG21 ' A' 1961 ' ' VAL . 20.4 t -64.84 -23.97 67.4 Favored 'General case' 0 CA--C 1.532 0.282 0 CA-C-O 121.039 0.447 . . . . 0.0 110.258 178.74 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1959 ' ' GLU . . . . . . . . . . . . . 78.5 mm-40 -71.26 -39.34 71.65 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 121.739 -0.6 . . . . 0.0 109.997 173.096 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1960 ' ' LYS . . . . . 0.555 ' HB3' ' HG ' ' A' 1923 ' ' LEU . 2.9 mptp? -66.78 -35.53 80.28 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.551 179.614 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1961 ' ' VAL . . . . . 0.737 HG22 ' HB1' ' A' 1865 ' ' ALA . 2.4 m -67.03 -32.79 59.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 N-CA-C 109.365 -0.605 . . . . 0.0 109.365 175.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1962 ' ' SER . . . . . 0.519 ' HA ' HD12 ' A' 1965 ' ' LEU . 42.8 m -71.87 -26.57 62.4 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-N 115.598 -0.728 . . . . 0.0 109.927 176.188 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1963 ' ' HIS . . . . . 0.544 ' HB3' ' HD2' ' A' 1919 ' ' ARG . 65.9 m170 -70.55 -32.5 69.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.006 176.268 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1964 ' ' VAL . . . . . 0.473 HG21 HD22 ' A' 1896 ' ' LEU . 95.5 t -65.21 -43.75 95.36 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.144 0 N-CA-C 108.946 -0.761 . . . . 0.0 108.946 173.521 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1965 ' ' LEU . . . . . 0.519 HD12 ' HA ' ' A' 1962 ' ' SER . 65.8 mt -59.45 -33.79 71.72 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.239 -0.892 . . . . 0.0 110.809 177.672 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1966 ' ' ALA . . . . . . . . . . . . . . . -76.81 -48.02 19.77 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.345 179.585 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1967 ' ' ALA . . . . . . . . . . . . . . . -60.99 -46.34 91.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.917 -177.15 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1968 ' ' LEU . . . . . 0.786 ' HB3' ' HG3' ' A' 1854 ' ' GLN . 4.2 mm? -67.43 -32.14 72.8 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.764 0.316 . . . . 0.0 111.535 -177.93 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1969 ' ' GLN . . . . . . . . . . . . . 48.6 mt-30 . . . . . 0 C--N 1.324 -0.534 0 CA-C-O 120.989 0.424 . . . . 0.0 110.905 -178.227 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A 1850 ' ' PHE . . . . . . . . . . . . . 77.5 t80 . . . . . 0 C--O 1.232 0.175 0 CA-C-O 121.145 0.498 . . . . 0.0 110.374 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A 1851 ' ' VAL . . . . . . . . . . . . . 13.4 m -57.0 -33.76 43.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 115.414 -0.812 . . . . 0.0 111.636 -178.438 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1852 ' ' ASP . . . . . . . . . . . . . 31.0 t70 -73.12 -48.89 31.79 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.708 -178.114 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1853 ' ' TYR . . . . . 0.412 ' CE1' ' HB2' ' A' 1902 ' ' PRO . 50.5 m-85 -63.8 -41.57 97.89 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.079 -179.79 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1854 ' ' GLN . . . . . 0.837 ' HG3' ' HB3' ' A' 1968 ' ' LEU . 32.5 tt0 -55.24 -57.57 11.24 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.322 176.348 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1855 ' ' THR . . . . . 0.606 ' O ' ' HG2' ' A' 1859 ' ' ARG . 46.1 m -58.63 -30.07 66.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.342 -178.81 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1856 ' ' THR . . . . . 0.465 HG23 ' N ' ' A' 1857 ' ' MET . 1.2 m -69.26 -58.61 3.82 Favored 'General case' 0 N--CA 1.442 -0.833 0 N-CA-C 112.201 0.445 . . . . 0.0 112.201 -178.78 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1857 ' ' MET . . . . . 0.698 ' HG3' HD21 ' A' 1968 ' ' LEU . 5.5 ptm -79.31 -17.04 55.37 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 112.115 0.413 . . . . 0.0 112.115 -169.04 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1858 ' ' VAL . . . . . 0.54 ' O ' ' HG3' ' A' 1862 ' ' LYS . 35.6 m -66.22 -33.63 64.8 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.164 0 C-N-CA 119.991 -0.684 . . . . 0.0 109.915 172.377 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1859 ' ' ARG . . . . . 0.606 ' HG2' ' O ' ' A' 1855 ' ' THR . 17.3 mmt180 -68.98 -42.02 77.11 Favored 'General case' 0 CA--C 1.518 -0.286 0 N-CA-C 109.087 -0.709 . . . . 0.0 109.087 178.343 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1860 ' ' THR . . . . . 0.445 HG21 ' HB2' ' A' 1896 ' ' LEU . 28.4 m -59.61 -44.4 93.43 Favored 'General case' 0 N--CA 1.448 -0.549 0 CA-C-N 115.078 -0.964 . . . . 0.0 110.993 177.516 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1861 ' ' ALA . . . . . 0.419 ' HB1' ' HB ' ' A' 1961 ' ' VAL . . . -57.74 -41.79 82.58 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.618 177.383 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1862 ' ' LYS . . . . . 0.54 ' HG3' ' O ' ' A' 1858 ' ' VAL . 56.9 mttm -65.51 -43.41 90.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.593 178.545 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1863 ' ' ALA . . . . . . . . . . . . . . . -64.58 -36.48 84.37 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.891 179.057 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1864 ' ' ILE . . . . . 0.614 ' O ' HG13 ' A' 1868 ' ' VAL . 69.1 mt -66.81 -48.47 79.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 116.512 -0.313 . . . . 0.0 110.323 175.877 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1865 ' ' ALA . . . . . 0.709 ' HB2' HG21 ' A' 1961 ' ' VAL . . . -57.75 -43.94 85.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.205 -0.452 . . . . 0.0 112.162 -177.185 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1866 ' ' VAL . . . . . 0.496 ' O ' ' HG3' ' A' 1870 ' ' GLU . 12.7 p -66.96 -33.96 66.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 C-N-CA 120.84 -0.344 . . . . 0.0 110.524 179.537 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1867 ' ' THR . . . . . 0.646 ' O ' ' HG3' ' A' 1871 ' ' MET . 85.5 m -67.8 -52.43 37.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.372 -0.377 . . . . 0.0 110.9 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1868 ' ' VAL . . . . . 0.614 HG13 ' O ' ' A' 1864 ' ' ILE . 3.2 m -61.05 -29.67 46.16 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.245 0 CA-C-O 121.566 0.698 . . . . 0.0 110.445 -178.194 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1869 ' ' GLN . . . . . . . . . . . . . 7.6 tp-100 -74.98 -29.89 61.03 Favored 'General case' 0 N--CA 1.425 -1.698 0 CA-C-N 114.787 -1.097 . . . . 0.0 110.191 -178.845 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1870 ' ' GLU . . . . . 0.496 ' HG3' ' O ' ' A' 1866 ' ' VAL . 48.6 mt-10 -74.35 -42.45 59.36 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.195 -0.457 . . . . 0.0 109.903 172.468 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1871 ' ' MET . . . . . 0.646 ' HG3' ' O ' ' A' 1867 ' ' THR . 59.0 mtp -55.46 -42.71 74.67 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.934 -0.575 . . . . 0.0 111.178 -177.056 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1872 ' ' VAL . . . . . 0.446 HG13 ' HA ' ' A' 1951 ' ' ILE . 28.3 m -74.23 -28.49 23.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-O 120.764 0.316 . . . . 0.0 111.756 178.512 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1873 ' ' THR . . . . . . . . . . . . . 94.6 m -74.07 -42.89 59.48 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.05 0.452 . . . . 0.0 110.638 178.286 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1874 ' ' LYS . . . . . 0.481 ' HG2' ' O ' ' A' 1870 ' ' GLU . 74.3 mmtt -66.14 -50.39 64.12 Favored 'General case' 0 C--O 1.221 -0.422 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.137 -178.578 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1875 ' ' SER . . . . . 0.514 ' HB2' ' HG3' ' A' 1947 ' ' LYS . 4.1 p -53.99 -20.53 6.42 Favored 'General case' 0 N--CA 1.468 0.431 0 N-CA-C 113.444 0.905 . . . . 0.0 113.444 -170.646 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1876 ' ' ASN . . . . . . . . . . . . . 86.1 m-20 -63.27 -31.9 73.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.803 0.335 . . . . 0.0 111.287 178.325 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1877 ' ' THR . . . . . . . . . . . . . 35.2 p -137.05 -37.95 0.64 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.128 0.489 . . . . 0.0 111.877 -176.426 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1878 ' ' SER . . . . . . . . . . . . . 51.4 m -109.13 99.59 36.57 Favored Pre-proline 0 C--N 1.322 -0.611 0 CA-C-N 115.608 -0.724 . . . . 0.0 111.089 -177.114 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1879 ' ' PRO . . . . . 0.712 ' HA ' HD12 ' A' 1882 ' ' LEU . 50.3 Cg_endo -89.16 -12.47 3.29 Favored 'Trans proline' 0 N--CA 1.443 -1.465 0 C-N-CA 121.776 1.651 . . . . 0.0 112.666 178.429 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1880 ' ' GLU . . . . . 0.509 ' HA ' ' HG2' ' A' 1938 ' ' GLN . 41.9 mt-10 -95.28 -23.24 17.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.665 0.269 . . . . 0.0 111.338 -177.009 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1881 ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -67.42 -13.11 61.73 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-O 121.091 0.472 . . . . 0.0 110.716 174.727 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1882 ' ' LEU . . . . . 0.712 HD12 ' HA ' ' A' 1879 ' ' PRO . 1.7 mt -76.93 -16.39 59.38 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.695 -0.684 . . . . 0.0 112.244 -178.184 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1883 ' ' GLY . . . . . . . . . . . . . . . -56.59 -61.31 7.63 Favored Glycine 0 CA--C 1.52 0.369 0 C-N-CA 120.833 -0.698 . . . . 0.0 112.526 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1884 ' ' PRO . . . . . . . . . . . . . 18.9 Cg_endo -60.9 -31.41 91.53 Favored 'Trans proline' 0 C--N 1.344 0.327 0 C-N-CA 122.541 2.161 . . . . 0.0 112.497 176.777 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1885 ' ' LEU . . . . . 0.406 ' HB3' ' HG2' ' A' 1871 ' ' MET . 86.0 mt -66.66 -41.25 88.46 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.615 -0.266 . . . . 0.0 111.217 -178.354 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1886 ' ' ALA . . . . . . . . . . . . . . . -62.8 -45.74 91.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.111 0.482 . . . . 0.0 110.617 178.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1887 ' ' ASN . . . . . . . . . . . . . 44.3 t30 -66.71 -35.06 79.25 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.846 -0.616 . . . . 0.0 110.474 178.265 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1888 ' ' GLN . . . . . . . . . . . . . 19.2 tp60 -64.54 -49.52 70.91 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.56 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1889 ' ' LEU . . . . . 0.505 HD12 ' SD ' ' A' 1871 ' ' MET . 1.3 tt -57.79 -46.82 84.09 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 109.453 -0.573 . . . . 0.0 109.453 177.48 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1890 ' ' THR . . . . . . . . . . . . . 85.8 m -57.57 -44.6 85.41 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.279 -0.873 . . . . 0.0 111.492 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1891 ' ' SER . . . . . . . . . . . . . 53.7 m -61.92 -50.28 72.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.496 -178.169 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1892 ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -64.78 -42.38 95.14 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.595 -0.275 . . . . 0.0 111.417 -178.605 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1893 ' ' TYR . . . . . . . . . . . . . 55.3 t80 -57.41 -34.72 69.2 Favored 'General case' 0 C--O 1.233 0.214 0 C-N-CA 120.674 -0.411 . . . . 0.0 110.884 179.179 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1894 ' ' GLY . . . . . . . . . . . . . . . -54.15 -42.36 72.14 Favored Glycine 0 N--CA 1.449 -0.444 0 C-N-CA 120.932 -0.651 . . . . 0.0 111.86 176.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1895 ' ' ARG . . . . . . . . . . . . . 8.0 mpt_? -68.34 -48.84 63.76 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.932 0.396 . . . . 0.0 110.124 178.065 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1896 ' ' LEU . . . . . 0.445 ' HB2' HG21 ' A' 1860 ' ' THR . 58.2 tp -54.3 -50.62 66.9 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.559 -0.746 . . . . 0.0 111.526 -178.728 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1897 ' ' ALA . . . . . . . . . . . . . . . -67.0 -25.73 66.45 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.561 -177.42 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1898 ' ' SER . . . . . . . . . . . . . 62.6 m -81.53 -45.04 16.49 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.811 0.339 . . . . 0.0 110.67 -176.14 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1899 ' ' GLN . . . . . 0.762 ' HA ' HE21 ' A' 1899 ' ' GLN . 0.0 OUTLIER -68.27 -13.03 61.95 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.924 -178.213 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A 1900 ' ' ALA . . . . . . . . . . . . . . . -67.62 -27.16 66.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.049 178.029 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1901 ' ' LYS . . . . . 0.705 ' HB3' ' HD3' ' A' 1902 ' ' PRO . 23.0 tptm -70.08 -57.12 6.44 Favored Pre-proline 0 CA--C 1.538 0.503 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.407 -178.827 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1902 ' ' PRO . . . . . 0.705 ' HD3' ' HB3' ' A' 1901 ' ' LYS . 14.6 Cg_exo -68.98 -25.06 32.59 Favored 'Trans proline' 0 C--N 1.357 1.019 0 C-N-CA 122.104 1.869 . . . . 0.0 112.046 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1903 ' ' ALA . . . . . . . . . . . . . . . -70.95 -31.61 68.24 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.429 -0.351 . . . . 0.0 110.824 178.204 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1904 ' ' ALA . . . . . . . . . . . . . . . -75.03 -37.7 61.67 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.932 0.396 . . . . 0.0 110.721 -177.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1905 ' ' VAL . . . . . . . . . . . . . 33.1 m -81.27 -13.31 12.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.618 -177.17 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1906 ' ' ALA . . . . . . . . . . . . . . . -104.43 3.4 32.16 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.876 0.369 . . . . 0.0 111.081 179.735 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1907 ' ' ALA . . . . . . . . . . . . . . . -89.22 119.52 29.79 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.884 -179.158 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1908 ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -63.06 -29.62 70.96 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.515 179.434 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1909 ' ' ASN . . . . . 0.563 ' HB2' HG13 ' A' 1912 ' ' ILE . 0.9 OUTLIER -95.18 134.69 37.64 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.838 0.351 . . . . 0.0 110.709 -178.907 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A 1910 ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -53.65 -49.59 67.6 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.194 -0.912 . . . . 0.0 111.222 179.192 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1911 ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -73.05 -30.94 64.09 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.811 -0.631 . . . . 0.0 112.298 -173.774 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1912 ' ' ILE . . . . . 0.621 ' O ' HG13 ' A' 1916 ' ' ILE . 51.9 mt -55.18 -54.21 26.86 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.33 0 C-N-CA 120.568 -0.453 . . . . 0.0 110.335 -179.603 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1913 ' ' GLY . . . . . . . . . . . . . . . -64.75 -36.38 93.05 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.407 -178.558 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1914 ' ' ALA . . . . . . . . . . . . . . . -69.1 -41.15 77.84 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.622 0.249 . . . . 0.0 110.49 -178.644 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1915 ' ' HIS . . . . . 0.568 ' O ' ' HG2' ' A' 1919 ' ' ARG . 61.5 m-70 -63.83 -40.49 96.74 Favored 'General case' 0 CA--C 1.517 -0.299 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.836 -179.71 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1916 ' ' ILE . . . . . 0.621 HG13 ' O ' ' A' 1912 ' ' ILE . 76.5 mt -55.42 -57.0 8.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 121.183 0.516 . . . . 0.0 110.427 178.118 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1917 ' ' LYS . . . . . 0.446 ' HA ' HG22 ' A' 1920 ' ' VAL . 19.8 mtpp -64.0 -29.83 70.96 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.375 -0.83 . . . . 0.0 111.031 -179.106 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1918 ' ' HIS . . . . . . . . . . . . . 39.1 t-80 -68.44 -44.95 73.8 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.19 177.739 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1919 ' ' ARG . . . . . 0.568 ' HG2' ' O ' ' A' 1915 ' ' HIS . 29.3 mmt180 -74.0 -33.21 63.73 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.49 -175.536 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1920 ' ' VAL . . . . . 0.446 HG22 ' HA ' ' A' 1917 ' ' LYS . 33.2 m -72.6 -28.51 28.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 C-N-CA 120.535 -0.466 . . . . 0.0 110.7 177.617 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1921 ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -69.77 -40.24 76.21 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 108.27 -1.011 . . . . 0.0 108.27 172.412 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1922 ' ' GLU . . . . . 0.553 ' HG2' ' HD3' ' A' 1960 ' ' LYS . 35.7 tt0 -66.87 -49.05 66.9 Favored 'General case' 0 N--CA 1.444 -0.742 0 CA-C-N 114.045 -1.434 . . . . 0.0 109.199 -175.325 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1923 ' ' LEU . . . . . 0.46 ' HG ' ' HB2' ' A' 1960 ' ' LYS . 1.1 tt -68.65 -37.8 79.94 Favored 'General case' 0 N--CA 1.444 -0.733 0 CA-C-N 114.554 -1.203 . . . . 0.0 109.559 177.313 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1924 ' ' GLY . . . . . . . . . . . . . . . -55.57 -55.28 29.48 Favored Glycine 0 N--CA 1.452 -0.261 0 CA-C-N 115.809 -0.632 . . . . 0.0 113.706 -177.219 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1925 ' ' HIS . . . . . . . . . . . . . 6.0 p-80 -70.13 -20.17 63.18 Favored 'General case' 0 C--N 1.324 -0.51 0 C-N-CA 120.383 -0.527 . . . . 0.0 110.547 -179.437 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1926 ' ' GLY . . . . . . . . . . . . . . . -77.35 -48.49 8.12 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.897 -0.668 . . . . 0.0 112.288 176.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1927 ' ' CYS . . . . . . . . . . . . . 28.6 p -70.49 -35.87 73.49 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.719 0.295 . . . . 0.0 110.637 -178.827 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1928 ' ' SER . . . . . . . . . . . . . 24.7 t -62.9 -39.09 93.43 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.114 177.229 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1929 ' ' ALA . . . . . . . . . . . . . . . -69.1 -36.97 78.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.133 0.492 . . . . 0.0 110.159 176.169 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1930 ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -62.51 -53.16 58.81 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.492 -0.776 . . . . 0.0 110.28 179.306 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1931 ' ' VAL . . . . . . . . . . . . . 34.7 m -63.94 -29.5 47.46 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.163 0 N-CA-C 111.728 0.27 . . . . 0.0 111.728 -175.831 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1932 ' ' THR . . . . . . . . . . . . . 73.4 m -62.88 -45.43 92.57 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.076 0.465 . . . . 0.0 110.076 174.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1933 ' ' LYS . . . . . . . . . . . . . 32.2 mmtp -75.5 -34.67 60.85 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.537 -179.714 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1934 ' ' ALA . . . . . . . . . . . . . . . -60.41 -46.22 90.79 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.449 -0.342 . . . . 0.0 110.439 176.208 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1935 ' ' GLY . . . . . . . . . . . . . . . -67.92 -36.8 87.2 Favored Glycine 0 N--CA 1.448 -0.509 0 C-N-CA 120.793 -0.718 . . . . 0.0 111.978 177.143 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1936 ' ' ALA . . . . . . . . . . . . . . . -64.32 -47.24 80.17 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.671 0.272 . . . . 0.0 111.239 178.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1937 ' ' LEU . . . . . 0.466 HD23 ' HA ' ' A' 1947 ' ' LYS . 55.5 tp -69.08 -27.91 66.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.274 0.559 . . . . 0.0 110.267 179.28 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1938 ' ' GLN . . . . . 0.517 ' HA ' ' O ' ' A' 1879 ' ' PRO . 0.3 OUTLIER -69.92 -34.42 73.45 Favored 'General case' 0 N--CA 1.445 -0.708 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.098 179.803 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A 1939 ' ' CYS . . . . . . . . . . . . . 55.8 m -86.11 -34.75 20.54 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.872 -0.603 . . . . 0.0 110.482 177.545 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1940 ' ' SER . . . . . . . . . . . . . 51.1 m -119.55 85.05 31.39 Favored Pre-proline 0 C--N 1.325 -0.484 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.295 -179.713 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1941 ' ' PRO . . . . . 0.583 ' HB3' ' HG3' ' A' 1879 ' ' PRO . 12.8 Cg_exo -72.71 -13.03 26.99 Favored 'Trans proline' 0 N--CA 1.465 -0.16 0 C-N-CA 122.94 2.427 . . . . 0.0 112.086 179.152 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1942 ' ' SER . . . . . . . . . . . . . 56.8 m -90.89 8.88 32.78 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.989 -0.551 . . . . 0.0 111.209 -179.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1943 ' ' ASP . . . . . . . . . . . . . 13.0 t70 -113.1 97.66 6.65 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.918 0.39 . . . . 0.0 110.256 178.216 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1944 ' ' VAL . . . . . . . . . . . . . 8.0 p -72.65 -22.6 20.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.051 -175.533 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1945 ' ' TYR . . . . . 0.457 ' O ' ' HG3' ' A' 1949 ' ' GLU . 85.6 m-85 -66.97 -40.7 87.51 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.068 -0.515 . . . . 0.0 109.925 -178.809 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1946 ' ' THR . . . . . 0.462 HG21 ' HB2' ' A' 1937 ' ' LEU . 89.4 m -58.58 -41.24 85.3 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.516 -0.765 . . . . 0.0 110.209 173.82 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1947 ' ' LYS . . . . . 0.514 ' HG3' ' HB2' ' A' 1875 ' ' SER . 30.4 ttpt -63.12 -44.32 95.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.782 -0.644 . . . . 0.0 110.415 179.031 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1948 ' ' LYS . . . . . 0.461 ' HE2' ' HA ' ' A' 1948 ' ' LYS . 8.8 mmpt? -55.76 -51.12 68.48 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.545 179.76 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1949 ' ' GLU . . . . . 0.457 ' HG3' ' O ' ' A' 1945 ' ' TYR . 24.9 mt-10 -66.02 -28.62 69.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.109 -177.122 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1950 ' ' LEU . . . . . 0.574 HD13 HD21 ' A' 1882 ' ' LEU . 7.5 tt -61.83 -52.03 65.81 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.518 -0.549 . . . . 0.0 109.518 176.684 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1951 ' ' ILE . . . . . 0.446 ' HA ' HG13 ' A' 1872 ' ' VAL . 1.9 mp -63.49 -44.18 98.67 Favored 'Isoleucine or valine' 0 C--O 1.235 0.322 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.442 177.483 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1952 ' ' GLU . . . . . . . . . . . . . 28.7 mm-40 -64.81 -24.69 67.63 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.883 -0.599 . . . . 0.0 112.084 -177.591 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1953 ' ' CYS . . . . . . . . . . . . . 7.4 t -88.47 -42.92 11.81 Favored 'General case' 0 C--N 1.323 -0.547 0 C-N-CA 120.999 -0.28 . . . . 0.0 110.55 179.538 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1954 ' ' ALA . . . . . 0.417 ' O ' HG22 ' A' 1957 ' ' VAL . . . -62.07 -37.28 84.41 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.641 -177.482 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1955 ' ' ARG . . . . . . . . . . . . . 8.3 ptp180 -59.39 -26.95 65.56 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.984 0.421 . . . . 0.0 110.835 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1956 ' ' ARG . . . . . 0.635 ' O ' ' HG3' ' A' 1960 ' ' LYS . 27.9 mtt180 -81.7 -31.79 31.99 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.674 -176.796 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1957 ' ' VAL . . . . . 0.531 ' O ' HG13 ' A' 1961 ' ' VAL . 5.0 m -83.61 -23.51 8.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 C-N-CA 120.591 -0.444 . . . . 0.0 111.326 -175.36 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1958 ' ' SER . . . . . 0.662 ' O ' HG23 ' A' 1961 ' ' VAL . 18.7 m -59.7 -34.66 73.18 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-O 120.968 0.413 . . . . 0.0 110.979 179.522 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1959 ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -81.35 -26.25 35.7 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.704 0.288 . . . . 0.0 110.638 176.531 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1960 ' ' LYS . . . . . 0.635 ' HG3' ' O ' ' A' 1956 ' ' ARG . 57.9 mttm -67.96 -30.62 69.95 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.616 -0.266 . . . . 0.0 110.506 -179.554 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1961 ' ' VAL . . . . . 0.709 HG21 ' HB2' ' A' 1865 ' ' ALA . 2.5 m -65.35 -35.68 75.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 N-CA-C 109.095 -0.705 . . . . 0.0 109.095 175.026 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1962 ' ' SER . . . . . 0.568 ' HA ' HD13 ' A' 1965 ' ' LEU . 50.5 m -71.58 -24.66 61.95 Favored 'General case' 0 N--CA 1.45 -0.45 0 CA-C-N 114.93 -1.032 . . . . 0.0 110.186 177.487 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1963 ' ' HIS . . . . . 0.487 ' HB3' ' CD ' ' A' 1919 ' ' ARG . 59.0 m170 -73.83 -33.16 64.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.294 178.881 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1964 ' ' VAL . . . . . . . . . . . . . 96.4 t -66.38 -41.0 88.08 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.22 0 N-CA-C 109.188 -0.671 . . . . 0.0 109.188 174.1 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1965 ' ' LEU . . . . . 0.568 HD13 ' HA ' ' A' 1962 ' ' SER . 66.7 mt -58.69 -50.11 75.1 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.269 -0.878 . . . . 0.0 110.57 177.6 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1966 ' ' ALA . . . . . . . . . . . . . . . -68.71 -38.53 80.32 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.955 -0.566 . . . . 0.0 112.264 -176.16 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1967 ' ' ALA . . . . . . . . . . . . . . . -61.14 -41.15 96.22 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-O 121.202 0.525 . . . . 0.0 111.173 178.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1968 ' ' LEU . . . . . 0.837 ' HB3' ' HG3' ' A' 1854 ' ' GLN . 4.9 mp -71.78 -39.6 69.82 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.714 -0.675 . . . . 0.0 111.217 -179.479 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1969 ' ' GLN . . . . . . . . . . . . . 66.9 mt-30 . . . . . 0 C--N 1.321 -0.631 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.546 -178.053 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A 1850 ' ' PHE . . . . . 0.4 ' HA ' ' HD1' ' A' 1853 ' ' TYR . 87.2 t80 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.698 0.285 . . . . 0.0 111.207 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1851 ' ' VAL . . . . . . . . . . . . . 23.2 m -52.94 -35.02 21.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.159 -0.473 . . . . 0.0 112.215 -179.278 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1852 ' ' ASP . . . . . . . . . . . . . 32.2 t70 -78.04 -45.55 23.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.025 0.441 . . . . 0.0 110.619 -179.795 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1853 ' ' TYR . . . . . 0.587 ' O ' ' HG3' ' A' 1857 ' ' MET . 75.9 m-85 -61.29 -36.72 80.85 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.364 -179.874 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1854 ' ' GLN . . . . . 0.798 ' HG3' ' HB3' ' A' 1968 ' ' LEU . 23.9 tt0 -62.81 -57.69 10.0 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.507 174.751 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1855 ' ' THR . . . . . 0.528 ' O ' ' HG2' ' A' 1859 ' ' ARG . 30.6 m -57.55 -41.52 81.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.877 -173.873 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1856 ' ' THR . . . . . 0.449 HG22 ' O ' ' A' 1853 ' ' TYR . 13.8 t -60.3 -41.58 93.72 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.739 0.305 . . . . 0.0 111.416 -176.246 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1857 ' ' MET . . . . . 0.722 ' HG2' ' HB2' ' A' 1899 ' ' GLN . 4.0 mtp -82.55 -31.2 29.22 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 120.688 -0.405 . . . . 0.0 110.874 -175.605 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1858 ' ' VAL . . . . . 0.491 HG23 ' O ' ' A' 1855 ' ' THR . 15.1 m -66.48 -35.28 74.5 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.283 0 C-N-CA 120.109 -0.636 . . . . 0.0 110.077 178.145 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1859 ' ' ARG . . . . . 0.528 ' HG2' ' O ' ' A' 1855 ' ' THR . 22.0 mmm180 -64.22 -37.68 88.35 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 121.225 0.536 . . . . 0.0 109.66 175.489 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1860 ' ' THR . . . . . 0.513 ' O ' HG13 ' A' 1864 ' ' ILE . 30.7 m -70.78 -45.29 64.95 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.262 -0.881 . . . . 0.0 111.075 -179.687 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1861 ' ' ALA . . . . . . . . . . . . . . . -60.03 -41.47 92.3 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.19 -179.185 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1862 ' ' LYS . . . . . . . . . . . . . 54.8 mttm -67.1 -28.97 68.61 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.638 178.389 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1863 ' ' ALA . . . . . . . . . . . . . . . -73.85 -37.68 64.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.35 176.566 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1864 ' ' ILE . . . . . 0.791 HG12 ' HB3' ' A' 1892 ' ' ASP . 61.6 mt -64.26 -43.15 97.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-O 121.092 0.472 . . . . 0.0 110.013 175.413 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1865 ' ' ALA . . . . . 0.72 ' HB1' HG22 ' A' 1961 ' ' VAL . . . -58.06 -46.58 85.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.537 -0.756 . . . . 0.0 112.068 -177.462 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1866 ' ' VAL . . . . . . . . . . . . . 11.6 p -64.21 -34.33 68.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 C-N-CA 120.597 -0.441 . . . . 0.0 110.606 -178.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1867 ' ' THR . . . . . 0.709 ' O ' ' HG3' ' A' 1871 ' ' MET . 68.9 m -65.43 -51.82 57.54 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.552 -0.294 . . . . 0.0 110.832 178.222 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1868 ' ' VAL . . . . . 0.489 HG12 ' O ' ' A' 1864 ' ' ILE . 4.7 m -65.96 -32.2 57.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-O 121.375 0.607 . . . . 0.0 110.854 -176.686 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1869 ' ' GLN . . . . . 0.405 ' HB3' ' O ' ' A' 1865 ' ' ALA . 0.0 OUTLIER -72.34 -31.24 65.47 Favored 'General case' 0 N--CA 1.443 -0.811 0 CA-C-N 115.37 -0.832 . . . . 0.0 109.695 177.894 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A 1870 ' ' GLU . . . . . 0.611 ' O ' ' HG2' ' A' 1874 ' ' LYS . 23.5 mt-10 -66.95 -47.8 70.54 Favored 'General case' 0 C--O 1.22 -0.448 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.2 170.477 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1871 ' ' MET . . . . . 0.709 ' HG3' ' O ' ' A' 1867 ' ' THR . 59.7 mtp -52.81 -42.59 65.25 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.904 -174.547 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1872 ' ' VAL . . . . . 0.486 ' CG1' ' HB2' ' A' 1954 ' ' ALA . 29.5 m -70.43 -35.83 63.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 C-N-CA 120.797 -0.361 . . . . 0.0 111.231 178.757 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1873 ' ' THR . . . . . . . . . . . . . 94.6 m -70.08 -40.03 75.24 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 121.35 0.595 . . . . 0.0 110.463 178.412 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1874 ' ' LYS . . . . . 0.611 ' HG2' ' O ' ' A' 1870 ' ' GLU . 31.2 mmtp -74.97 -17.51 60.53 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.522 -0.763 . . . . 0.0 111.353 -176.092 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1875 ' ' SER . . . . . . . . . . . . . 85.2 p -63.48 -16.28 60.22 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.166 0.507 . . . . 0.0 110.916 -179.144 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1876 ' ' ASN . . . . . . . . . . . . . 77.2 m-20 -85.52 -60.53 2.0 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.258 -178.121 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1877 ' ' THR . . . . . . . . . . . . . 33.6 p -118.19 2.52 11.99 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 112.678 0.621 . . . . 0.0 112.678 -171.834 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1878 ' ' SER . . . . . 0.46 ' HB3' ' HG2' ' A' 1881 ' ' GLU . 66.6 m -141.8 54.87 4.34 Favored Pre-proline 0 C--N 1.324 -0.534 0 N-CA-C 112.857 0.688 . . . . 0.0 112.857 -172.379 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1879 ' ' PRO . . . . . 0.784 ' HA ' HD13 ' A' 1882 ' ' LEU . 87.1 Cg_endo -78.8 -4.03 13.71 Favored 'Trans proline' 0 N--CA 1.454 -0.82 0 C-N-CA 121.028 1.152 . . . . 0.0 111.779 -177.506 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1880 ' ' GLU . . . . . . . . . . . . . 20.5 mm-40 -79.6 -45.08 19.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.006 178.629 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1881 ' ' GLU . . . . . 0.46 ' HG2' ' HB3' ' A' 1878 ' ' SER . 11.4 pt-20 -77.04 -11.83 59.86 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-O 121.142 0.496 . . . . 0.0 111.175 -178.284 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1882 ' ' LEU . . . . . 0.784 HD13 ' HA ' ' A' 1879 ' ' PRO . 1.9 mt -60.29 -27.37 67.23 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.603 -0.726 . . . . 0.0 112.25 179.594 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1883 ' ' GLY . . . . . . . . . . . . . . . -62.29 -60.77 7.41 Favored Glycine 0 CA--C 1.519 0.332 0 C-N-CA 120.519 -0.848 . . . . 0.0 111.747 174.764 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1884 ' ' PRO . . . . . . . . . . . . . 53.6 Cg_exo -50.19 -39.72 51.8 Favored 'Trans proline' 0 C--N 1.345 0.386 0 C-N-CA 122.791 2.327 . . . . 0.0 112.609 172.279 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1885 ' ' LEU . . . . . . . . . . . . . 33.7 mt -63.83 -36.82 85.16 Favored 'General case' 0 C--O 1.231 0.09 0 CA-C-O 120.643 0.259 . . . . 0.0 111.209 179.785 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1886 ' ' ALA . . . . . . . . . . . . . . . -65.27 -42.08 93.58 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.193 0.521 . . . . 0.0 110.343 176.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1887 ' ' ASN . . . . . . . . . . . . . 6.8 m-20 -65.42 -37.45 86.97 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.331 0.586 . . . . 0.0 109.762 176.656 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1888 ' ' GLN . . . . . . . . . . . . . 59.5 tp60 -62.11 -48.83 78.41 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.104 -0.953 . . . . 0.0 110.583 178.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1889 ' ' LEU . . . . . 0.411 HD11 ' SD ' ' A' 1871 ' ' MET . 0.5 OUTLIER -58.68 -43.25 89.89 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.291 0.567 . . . . 0.0 109.541 177.799 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A 1890 ' ' THR . . . . . . . . . . . . . 76.4 m -60.4 -40.09 89.72 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.34 -0.846 . . . . 0.0 111.077 178.647 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1891 ' ' SER . . . . . . . . . . . . . 30.3 t -71.59 -47.32 55.54 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.794 179.204 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1892 ' ' ASP . . . . . 0.791 ' HB3' HG12 ' A' 1864 ' ' ILE . 17.5 m-20 -59.12 -41.94 89.4 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.571 -178.167 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1893 ' ' TYR . . . . . . . . . . . . . 42.7 t80 -61.92 -40.29 94.98 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 120.909 -0.316 . . . . 0.0 111.104 -179.491 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1894 ' ' GLY . . . . . . . . . . . . . . . -57.74 -42.95 94.69 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.831 -0.7 . . . . 0.0 111.876 179.323 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1895 ' ' ARG . . . . . . . . . . . . . 67.3 ttt180 -61.17 -44.21 97.67 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.096 0.474 . . . . 0.0 110.457 178.223 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1896 ' ' LEU . . . . . 0.756 HD11 HG13 ' A' 1964 ' ' VAL . 43.7 tp -64.3 -57.28 9.86 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.751 -0.659 . . . . 0.0 111.724 -178.137 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1897 ' ' ALA . . . . . . . . . . . . . . . -60.32 -23.2 64.03 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.718 -0.674 . . . . 0.0 112.357 -173.229 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1898 ' ' SER . . . . . . . . . . . . . 55.6 m -80.91 -24.42 38.23 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 121.085 0.469 . . . . 0.0 110.752 -172.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1899 ' ' GLN . . . . . 0.722 ' HB2' ' HG2' ' A' 1857 ' ' MET . 0.0 OUTLIER -84.1 -11.3 56.87 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.204 -179.778 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A 1900 ' ' ALA . . . . . . . . . . . . . . . -69.06 -30.75 69.15 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.043 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1901 ' ' LYS . . . . . 0.651 ' HB3' ' HD3' ' A' 1902 ' ' PRO . 8.2 tmtt? -64.53 -57.0 18.58 Favored Pre-proline 0 CA--C 1.538 0.507 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.597 -178.759 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1902 ' ' PRO . . . . . 0.651 ' HD3' ' HB3' ' A' 1901 ' ' LYS . 15.6 Cg_exo -69.03 -30.44 25.68 Favored 'Trans proline' 0 C--N 1.354 0.863 0 C-N-CA 121.871 1.714 . . . . 0.0 112.345 179.834 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1903 ' ' ALA . . . . . . . . . . . . . . . -66.38 -36.26 82.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.835 0.35 . . . . 0.0 111.344 -178.773 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1904 ' ' ALA . . . . . . . . . . . . . . . -70.14 -32.11 69.94 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.767 -175.576 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1905 ' ' VAL . . . . . . . . . . . . . 34.1 m -94.57 -7.31 10.03 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.471 -176.29 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1906 ' ' ALA . . . . . . . . . . . . . . . -100.98 -7.59 23.19 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.815 0.34 . . . . 0.0 111.252 -179.518 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1907 ' ' ALA . . . . . . . . . . . . . . . -84.82 144.97 28.1 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.55 179.699 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1908 ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -86.25 -12.44 49.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.162 178.14 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1909 ' ' ASN . . . . . 0.532 ' HB3' HG13 ' A' 1912 ' ' ILE . 50.1 t-20 -109.96 131.75 54.77 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 109.822 -0.436 . . . . 0.0 109.822 -179.091 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1910 ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -53.31 -52.16 60.02 Favored 'General case' 0 C--N 1.328 -0.341 0 O-C-N 123.877 0.735 . . . . 0.0 111.474 179.487 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1911 ' ' GLU . . . . . . . . . . . . . 13.0 mt-10 -66.13 -31.93 73.08 Favored 'General case' 0 N--CA 1.448 -0.55 0 CA-C-N 115.734 -0.666 . . . . 0.0 112.133 -171.67 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1912 ' ' ILE . . . . . 0.567 ' O ' HG13 ' A' 1916 ' ' ILE . 63.7 mt -57.84 -53.69 41.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 C-N-CA 120.61 -0.436 . . . . 0.0 110.093 179.125 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1913 ' ' GLY . . . . . . . . . . . . . . . -67.13 -29.05 73.98 Favored Glycine 0 N--CA 1.449 -0.487 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.175 -179.359 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1914 ' ' ALA . . . . . . . . . . . . . . . -74.38 -48.61 26.85 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.656 0.265 . . . . 0.0 110.856 -178.645 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1915 ' ' HIS . . . . . . . . . . . . . 70.1 m-70 -59.42 -38.9 81.83 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.317 -177.048 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1916 ' ' ILE . . . . . 0.567 HG13 ' O ' ' A' 1912 ' ' ILE . 82.9 mt -53.02 -55.62 11.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.967 178.708 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1917 ' ' LYS . . . . . 0.413 ' HA ' HG23 ' A' 1920 ' ' VAL . 48.4 mtmt -67.25 -24.65 65.82 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.8 -0.636 . . . . 0.0 112.032 -176.109 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1918 ' ' HIS . . . . . . . . . . . . . 74.4 m-70 -78.13 -34.96 49.62 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.039 0.447 . . . . 0.0 110.858 177.633 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1919 ' ' ARG . . . . . 0.469 ' CD ' ' HB3' ' A' 1963 ' ' HIS . 24.7 mmt180 -81.01 -32.95 33.97 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.848 -176.554 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1920 ' ' VAL . . . . . 0.413 HG23 ' HA ' ' A' 1917 ' ' LYS . 35.5 m -70.27 -24.35 25.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 C-N-CA 120.51 -0.476 . . . . 0.0 110.057 175.869 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1921 ' ' GLN . . . . . . . . . . . . . 30.2 tt0 -66.06 -36.38 83.06 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.091 -0.504 . . . . 0.0 109.947 175.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1922 ' ' GLU . . . . . 0.951 ' HB3' ' HD3' ' A' 1960 ' ' LYS . 33.4 mt-10 -58.26 -52.7 64.46 Favored 'General case' 0 CA--C 1.521 -0.164 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.251 175.104 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1923 ' ' LEU . . . . . 0.408 ' CD2' ' HB ' ' A' 1957 ' ' VAL . 69.8 mt -65.35 -23.71 67.06 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.411 -0.813 . . . . 0.0 111.33 -179.54 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1924 ' ' GLY . . . . . . . . . . . . . . . -63.09 -53.52 39.64 Favored Glycine 0 N--CA 1.448 -0.549 0 C-N-CA 120.719 -0.753 . . . . 0.0 111.739 176.325 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1925 ' ' HIS . . . . . . . . . . . . . 38.6 m80 -74.65 -30.48 61.63 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.838 0.352 . . . . 0.0 110.351 179.817 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1926 ' ' GLY . . . . . . . . . . . . . . . -67.39 -41.46 90.94 Favored Glycine 0 N--CA 1.448 -0.518 0 C-N-CA 120.867 -0.683 . . . . 0.0 112.151 177.274 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1927 ' ' CYS . . . . . . . . . . . . . 52.6 t -62.61 -52.27 64.01 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 110.426 -0.213 . . . . 0.0 110.426 179.057 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1928 ' ' SER . . . . . . . . . . . . . 10.4 p -60.33 -35.92 76.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.905 0.383 . . . . 0.0 111.121 -178.203 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1929 ' ' ALA . . . . . . . . . . . . . . . -68.78 -50.91 46.49 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.705 177.36 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1930 ' ' LEU . . . . . 0.494 HD11 ' HB3' ' A' 1954 ' ' ALA . 0.6 OUTLIER -62.57 -48.07 81.06 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.76 -0.654 . . . . 0.0 111.102 -175.84 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A 1931 ' ' VAL . . . . . . . . . . . . . 22.9 m -64.96 -27.87 43.43 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-O 120.726 0.298 . . . . 0.0 111.457 -176.272 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1932 ' ' THR . . . . . . . . . . . . . 89.0 m -71.91 -43.49 65.25 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.993 0.425 . . . . 0.0 110.06 175.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1933 ' ' LYS . . . . . . . . . . . . . 31.7 mmtp -69.33 -37.25 77.62 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.661 179.711 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1934 ' ' ALA . . . . . 0.417 ' HA ' HD13 ' A' 1950 ' ' LEU . . . -62.67 -46.93 85.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.741 176.253 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1935 ' ' GLY . . . . . . . . . . . . . . . -63.92 -40.1 97.97 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.889 -0.672 . . . . 0.0 111.907 178.293 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1936 ' ' ALA . . . . . . . . . . . . . . . -65.15 -37.15 86.48 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.771 0.32 . . . . 0.0 111.214 178.446 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1937 ' ' LEU . . . . . 0.446 ' HB2' HG22 ' A' 1946 ' ' THR . 49.1 tp -71.96 -31.62 66.48 Favored 'General case' 0 CA--C 1.515 -0.367 0 CA-C-O 120.826 0.346 . . . . 0.0 110.473 179.342 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1938 ' ' GLN . . . . . 0.581 ' HG3' ' O ' ' A' 1879 ' ' PRO . 5.2 tt0 -68.88 -26.31 65.06 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.373 0.606 . . . . 0.0 109.423 178.017 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1939 ' ' CYS . . . . . . . . . . . . . 49.5 t -81.25 -40.53 23.6 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.491 175.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1940 ' ' SER . . . . . . . . . . . . . 72.2 m -132.07 86.76 46.09 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.19 179.344 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1941 ' ' PRO . . . . . . . . . . . . . 3.3 Cg_exo -78.76 -13.32 14.58 Favored 'Trans proline' 0 C--N 1.344 0.307 0 C-N-CA 123.218 2.612 . . . . 0.0 112.579 -179.263 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1942 ' ' SER . . . . . . . . . . . . . 16.2 m -88.54 -4.68 58.55 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.186 0.517 . . . . 0.0 110.306 -179.363 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1943 ' ' ASP . . . . . . . . . . . . . 19.6 t70 -90.98 117.96 29.98 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.7 -0.682 . . . . 0.0 109.772 177.798 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1944 ' ' VAL . . . . . 0.405 ' O ' ' HG2' ' A' 1948 ' ' LYS . 6.0 p -75.57 -30.7 22.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-N 116.422 -0.353 . . . . 0.0 110.875 -175.475 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1945 ' ' TYR . . . . . . . . . . . . . 96.4 m-85 -60.57 -49.65 76.67 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.802 0.334 . . . . 0.0 110.761 -176.84 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1946 ' ' THR . . . . . 0.446 HG22 ' HB2' ' A' 1937 ' ' LEU . 27.7 m -58.15 -40.55 81.65 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.658 177.932 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1947 ' ' LYS . . . . . 0.401 ' O ' HD13 ' A' 1951 ' ' ILE . 6.0 ttpp -65.42 -45.3 84.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.757 -0.656 . . . . 0.0 109.936 179.175 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1948 ' ' LYS . . . . . 0.46 ' HE2' ' HA ' ' A' 1948 ' ' LYS . 8.4 mmpt? -58.68 -48.9 79.51 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.209 179.24 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1949 ' ' GLU . . . . . . . . . . . . . 49.8 mm-40 -53.6 -45.24 69.97 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.514 -0.766 . . . . 0.0 111.337 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1950 ' ' LEU . . . . . 0.417 HD13 ' HA ' ' A' 1934 ' ' ALA . 7.2 tt -58.89 -45.24 90.72 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.271 179.836 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1951 ' ' ILE . . . . . 0.448 ' HA ' HG13 ' A' 1872 ' ' VAL . 1.7 mp -62.64 -41.83 93.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.617 177.802 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1952 ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -67.79 -22.46 65.19 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.943 -178.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1953 ' ' CYS . . . . . . . . . . . . . 86.0 m -86.21 -52.16 5.82 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.428 -178.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1954 ' ' ALA . . . . . 0.494 ' HB3' HD11 ' A' 1930 ' ' LEU . . . -65.88 -33.68 76.38 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 111.613 0.227 . . . . 0.0 111.613 -176.392 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1955 ' ' ARG . . . . . . . . . . . . . 17.0 ptm180 -60.81 -32.26 71.63 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.9 0.381 . . . . 0.0 110.162 178.36 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1956 ' ' ARG . . . . . 0.499 ' O ' ' HG3' ' A' 1960 ' ' LYS . 90.7 mtt180 -75.77 -49.89 16.83 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.513 -179.748 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1957 ' ' VAL . . . . . 0.623 ' O ' HG11 ' A' 1961 ' ' VAL . 10.4 m -67.07 -26.39 36.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.588 -174.81 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1958 ' ' SER . . . . . 0.614 ' O ' HG21 ' A' 1961 ' ' VAL . 28.7 t -60.36 -32.26 71.11 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-O 121.072 0.463 . . . . 0.0 110.42 176.877 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1959 ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -81.86 -32.54 31.05 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 122.081 -0.387 . . . . 0.0 111.001 173.857 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1960 ' ' LYS . . . . . 0.951 ' HD3' ' HB3' ' A' 1922 ' ' GLU . 60.8 mttm -64.59 -33.36 75.75 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.497 -179.309 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1961 ' ' VAL . . . . . 0.72 HG22 ' HB1' ' A' 1865 ' ' ALA . 5.4 m -67.71 -34.77 69.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 N-CA-C 109.694 -0.484 . . . . 0.0 109.694 174.529 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1962 ' ' SER . . . . . 0.575 ' HA ' HD12 ' A' 1965 ' ' LEU . 29.9 t -69.65 -28.13 65.63 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.736 -0.665 . . . . 0.0 109.911 176.719 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1963 ' ' HIS . . . . . 0.469 ' HB3' ' CD ' ' A' 1919 ' ' ARG . 51.6 m170 -70.15 -34.48 73.07 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.27 178.805 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1964 ' ' VAL . . . . . 0.756 HG13 HD11 ' A' 1896 ' ' LEU . 77.7 t -67.45 -42.61 87.35 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.116 0 N-CA-C 109.136 -0.69 . . . . 0.0 109.136 173.469 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1965 ' ' LEU . . . . . 0.616 ' HG ' ' O ' ' A' 1961 ' ' VAL . 76.1 mt -57.23 -45.55 83.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.312 -0.858 . . . . 0.0 110.465 177.513 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1966 ' ' ALA . . . . . . . . . . . . . . . -69.05 -41.71 77.25 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.553 -179.392 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1967 ' ' ALA . . . . . . . . . . . . . . . -60.63 -42.64 97.31 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.029 0.442 . . . . 0.0 110.996 178.761 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1968 ' ' LEU . . . . . 0.798 ' HB3' ' HG3' ' A' 1854 ' ' GLN . 91.9 mt -71.87 -33.28 68.26 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.225 -179.711 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1969 ' ' GLN . . . . . . . . . . . . . 48.7 mt-30 . . . . . 0 C--N 1.324 -0.501 0 CA-C-O 120.655 0.264 . . . . 0.0 111.299 -178.872 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A 1850 ' ' PHE . . . . . . . . . . . . . 63.6 t80 . . . . . 0 N--CA 1.453 -0.303 0 CA-C-O 121.408 0.623 . . . . 0.0 109.424 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A 1851 ' ' VAL . . . . . . . . . . . . . 9.3 m -62.99 -29.29 46.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 114.897 -1.047 . . . . 0.0 111.75 -177.439 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1852 ' ' ASP . . . . . . . . . . . . . 26.9 m-20 -71.41 -49.74 38.9 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.107 0.479 . . . . 0.0 110.205 -178.35 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1853 ' ' TYR . . . . . 0.611 ' O ' HG23 ' A' 1856 ' ' THR . 49.1 m-85 -70.91 -33.48 70.58 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.037 -179.754 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1854 ' ' GLN . . . . . 0.957 ' HG3' ' HB3' ' A' 1968 ' ' LEU . 45.2 tt0 -57.72 -59.26 5.48 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.087 177.464 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1855 ' ' THR . . . . . 0.715 ' O ' ' HG2' ' A' 1859 ' ' ARG . 27.2 m -59.01 -34.87 72.38 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.577 -0.738 . . . . 0.0 111.781 -174.245 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1856 ' ' THR . . . . . 0.611 HG23 ' O ' ' A' 1853 ' ' TYR . 5.8 t -69.2 -45.41 69.96 Favored 'General case' 0 C--N 1.323 -0.554 0 C-N-CA 120.857 -0.337 . . . . 0.0 111.562 -174.551 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1857 ' ' MET . . . . . 0.506 ' HE1' ' HA ' ' A' 1900 ' ' ALA . 9.9 ptm -81.58 -26.95 34.53 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 111.857 0.318 . . . . 0.0 111.857 -173.142 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1858 ' ' VAL . . . . . 0.43 HG12 ' O ' ' A' 1854 ' ' GLN . 19.9 m -66.07 -29.26 46.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 C-N-CA 119.874 -0.73 . . . . 0.0 109.53 174.86 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1859 ' ' ARG . . . . . 0.715 ' HG2' ' O ' ' A' 1855 ' ' THR . 8.0 mmt180 -73.5 -41.45 63.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.122 176.771 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1860 ' ' THR . . . . . 0.427 ' O ' HG13 ' A' 1864 ' ' ILE . 5.9 m -64.4 -37.21 86.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.987 -0.552 . . . . 0.0 110.939 178.481 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1861 ' ' ALA . . . . . 0.42 ' HB1' ' HB ' ' A' 1961 ' ' VAL . . . -60.18 -41.8 93.64 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.087 0.47 . . . . 0.0 110.462 176.822 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1862 ' ' LYS . . . . . . . . . . . . . 52.9 mttm -65.49 -38.96 91.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.159 176.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1863 ' ' ALA . . . . . . . . . . . . . . . -62.1 -42.76 99.54 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.752 178.292 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1864 ' ' ILE . . . . . 0.572 ' O ' HG11 ' A' 1868 ' ' VAL . 58.9 mt -63.92 -45.58 96.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-O 120.921 0.391 . . . . 0.0 110.177 176.294 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1865 ' ' ALA . . . . . 0.727 ' HB1' HG22 ' A' 1961 ' ' VAL . . . -57.61 -44.79 85.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.897 -178.071 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1866 ' ' VAL . . . . . . . . . . . . . 14.6 p -67.08 -32.79 59.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 C-N-CA 120.684 -0.407 . . . . 0.0 110.38 179.853 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1867 ' ' THR . . . . . 0.625 ' O ' ' HG3' ' A' 1871 ' ' MET . 94.9 m -63.42 -53.8 46.6 Favored 'General case' 0 N--CA 1.455 -0.206 0 CA-C-N 116.688 -0.233 . . . . 0.0 110.802 176.559 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1868 ' ' VAL . . . . . 0.572 HG11 ' O ' ' A' 1864 ' ' ILE . 2.4 m -60.49 -31.89 49.95 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.242 0 CA-C-O 121.439 0.638 . . . . 0.0 110.276 -177.892 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1869 ' ' GLN . . . . . . . . . . . . . 8.7 tp-100 -75.88 -32.22 59.6 Favored 'General case' 0 N--CA 1.424 -1.751 0 CA-C-N 115.141 -0.936 . . . . 0.0 110.515 -178.586 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1870 ' ' GLU . . . . . 0.542 ' O ' ' HG2' ' A' 1874 ' ' LYS . 38.8 mt-10 -68.12 -44.88 75.14 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.264 -0.425 . . . . 0.0 109.95 171.894 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1871 ' ' MET . . . . . 0.625 ' HG3' ' O ' ' A' 1867 ' ' THR . 67.6 mtp -55.03 -49.89 70.43 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.471 -0.786 . . . . 0.0 111.058 -177.896 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1872 ' ' VAL . . . . . 0.551 ' HB ' HG13 ' A' 1951 ' ' ILE . 34.3 m -66.68 -30.37 49.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 C-N-CA 121.059 -0.256 . . . . 0.0 111.607 -179.279 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1873 ' ' THR . . . . . . . . . . . . . 58.8 m -68.43 -48.62 64.12 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 109.68 -0.489 . . . . 0.0 109.68 175.858 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1874 ' ' LYS . . . . . 0.542 ' HG2' ' O ' ' A' 1870 ' ' GLU . 69.5 mmtt -57.69 -34.83 69.83 Favored 'General case' 0 C--O 1.212 -0.881 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.682 177.134 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1875 ' ' SER . . . . . 0.415 ' HA ' HD12 ' A' 1882 ' ' LEU . 19.3 m -61.38 -10.71 7.87 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 112.378 0.51 . . . . 0.0 112.378 -176.817 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1876 ' ' ASN . . . . . . . . . . . . . 48.8 m-80 -93.55 -37.67 11.78 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 111.908 0.336 . . . . 0.0 111.908 -179.668 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1877 ' ' THR . . . . . . . . . . . . . 67.1 p -121.25 -24.7 5.42 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.246 0.546 . . . . 0.0 112.0 -175.775 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1878 ' ' SER . . . . . . . . . . . . . 11.7 m -132.95 85.04 47.32 Favored Pre-proline 0 N--CA 1.439 -0.999 0 CA-C-N 115.486 -0.779 . . . . 0.0 112.531 -166.151 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1879 ' ' PRO . . . . . 0.755 ' HA ' HD11 ' A' 1882 ' ' LEU . 7.3 Cg_exo -67.93 -29.35 34.59 Favored 'Trans proline' 0 C--N 1.319 -1.005 0 C-N-CA 121.405 1.404 . . . . 0.0 110.88 174.327 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1880 ' ' GLU . . . . . . . . . . . . . 43.8 mp0 -66.93 -38.11 85.56 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.147 -0.933 . . . . 0.0 111.047 -175.285 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1881 ' ' GLU . . . . . 0.413 ' HG3' ' HD2' ' A' 1874 ' ' LYS . 6.7 mm-40 -67.69 -15.93 63.89 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.761 -176.713 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1882 ' ' LEU . . . . . 0.755 HD11 ' HA ' ' A' 1879 ' ' PRO . 12.3 mt -74.22 -16.22 60.97 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.795 -176.884 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1883 ' ' GLY . . . . . . . . . . . . . . . -65.15 -61.7 5.54 Favored Glycine 0 CA--C 1.52 0.373 0 C-N-CA 120.62 -0.8 . . . . 0.0 112.374 178.156 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1884 ' ' PRO . . . . . . . . . . . . . 20.5 Cg_endo -63.34 -32.83 72.04 Favored 'Trans proline' 0 C--N 1.347 0.47 0 C-N-CA 122.441 2.094 . . . . 0.0 112.67 177.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1885 ' ' LEU . . . . . 0.599 ' HB3' ' HG2' ' A' 1871 ' ' MET . 54.7 mt -65.93 -34.91 79.19 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 111.761 0.282 . . . . 0.0 111.761 -177.887 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1886 ' ' ALA . . . . . . . . . . . . . . . -64.95 -41.7 95.27 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.135 0.493 . . . . 0.0 110.18 177.152 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1887 ' ' ASN . . . . . . . . . . . . . 87.2 m-20 -71.08 -29.51 65.39 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.062 177.563 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1888 ' ' GLN . . . . . . . . . . . . . 49.3 tp60 -65.9 -51.05 62.06 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.458 177.479 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1889 ' ' LEU . . . . . 0.414 HD12 ' SD ' ' A' 1871 ' ' MET . 1.2 tt -56.46 -46.63 80.27 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.46 0.647 . . . . 0.0 109.388 177.917 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1890 ' ' THR . . . . . . . . . . . . . 56.8 m -58.17 -35.18 71.19 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.117 -0.947 . . . . 0.0 111.16 178.684 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1891 ' ' SER . . . . . . . . . . . . . 28.9 t -69.91 -50.93 37.38 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.814 178.389 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1892 ' ' ASP . . . . . . . . . . . . . 77.2 m-20 -61.71 -41.76 98.05 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.348 -176.646 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1893 ' ' TYR . . . . . . . . . . . . . 39.1 t80 -56.94 -40.81 77.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.072 178.627 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1894 ' ' GLY . . . . . . . . . . . . . . . -57.34 -33.65 66.19 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 121.184 -0.531 . . . . 0.0 112.392 -179.041 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1895 ' ' ARG . . . . . 0.454 ' N ' ' HD2' ' A' 1895 ' ' ARG . 9.0 mpt_? -77.37 -49.96 13.78 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.649 0.261 . . . . 0.0 110.357 179.336 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1896 ' ' LEU . . . . . 0.631 HD13 HG12 ' A' 1964 ' ' VAL . 66.5 tp -55.46 -46.78 76.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.437 -177.847 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1897 ' ' ALA . . . . . . . . . . . . . . . -67.27 -27.05 66.88 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.446 -177.721 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1898 ' ' SER . . . . . . . . . . . . . 18.8 t -81.89 -29.27 32.48 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.334 0.588 . . . . 0.0 110.045 -176.166 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1899 ' ' GLN . . . . . 0.561 ' NE2' ' HG1' ' A' 1856 ' ' THR . 83.1 mt-30 -79.29 -12.06 59.94 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.397 -0.819 . . . . 0.0 110.453 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1900 ' ' ALA . . . . . 0.506 ' HA ' ' HE1' ' A' 1857 ' ' MET . . . -74.53 -35.96 63.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.677 -0.692 . . . . 0.0 111.838 -179.083 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1901 ' ' LYS . . . . . 0.486 ' HB3' ' HD3' ' A' 1902 ' ' PRO . 2.3 tmmm? -62.93 -57.75 19.87 Favored Pre-proline 0 CA--C 1.541 0.622 0 CA-C-N 116.52 -0.309 . . . . 0.0 111.144 -175.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1902 ' ' PRO . . . . . 0.486 ' HD3' ' HB3' ' A' 1901 ' ' LYS . 44.3 Cg_endo -67.46 -19.7 48.74 Favored 'Trans proline' 0 C--N 1.354 0.857 0 C-N-CA 121.934 1.756 . . . . 0.0 112.738 -177.804 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1903 ' ' ALA . . . . . . . . . . . . . . . -76.66 -33.66 58.29 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.095 0.474 . . . . 0.0 110.533 178.23 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1904 ' ' ALA . . . . . . . . . . . . . . . -71.27 -32.95 69.31 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.581 -177.092 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1905 ' ' VAL . . . . . . . . . . . . . 36.0 m -88.39 -15.69 9.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 115.639 -0.71 . . . . 0.0 110.987 179.449 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1906 ' ' ALA . . . . . . . . . . . . . . . -76.06 -43.9 41.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.271 -0.422 . . . . 0.0 109.94 176.641 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1907 ' ' ALA . . . . . . . . . . . . . . . -73.03 135.04 44.85 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.76 -0.654 . . . . 0.0 110.12 176.423 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1908 ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -90.02 -21.1 22.53 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 120.888 0.375 . . . . 0.0 110.596 -177.565 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1909 ' ' ASN . . . . . . . . . . . . . 51.3 m-80 -76.55 144.39 39.72 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.054 0.454 . . . . 0.0 110.481 177.665 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1910 ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -60.81 -53.97 50.85 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.281 -0.872 . . . . 0.0 111.488 -177.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1911 ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 -68.05 -43.11 79.41 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.761 -0.654 . . . . 0.0 112.282 -171.635 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1912 ' ' ILE . . . . . 0.596 ' O ' HG13 ' A' 1916 ' ' ILE . 57.9 mt -53.67 -53.71 24.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 C-N-CA 120.927 -0.309 . . . . 0.0 110.438 -177.043 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1913 ' ' GLY . . . . . 0.561 ' HA2' HD11 ' A' 1916 ' ' ILE . . . -69.76 -28.35 72.16 Favored Glycine 0 CA--C 1.519 0.335 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.786 -179.884 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1914 ' ' ALA . . . . . . . . . . . . . . . -75.68 -40.65 55.56 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.655 0.264 . . . . 0.0 111.108 -177.161 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1915 ' ' HIS . . . . . 0.421 ' O ' ' HG2' ' A' 1919 ' ' ARG . 82.2 m-70 -67.04 -35.18 79.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.849 -179.205 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1916 ' ' ILE . . . . . 0.596 HG13 ' O ' ' A' 1912 ' ' ILE . 97.8 mt -53.35 -59.23 1.93 Allowed 'Isoleucine or valine' 0 C--O 1.233 0.219 0 CA-C-N 115.657 -0.701 . . . . 0.0 111.165 178.913 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1917 ' ' LYS . . . . . . . . . . . . . 51.8 mtmt -69.66 -27.45 65.04 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.28 -177.42 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1918 ' ' HIS . . . . . 0.446 ' O ' ' HG3' ' A' 1922 ' ' GLU . 41.6 t-80 -64.93 -46.16 82.79 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.973 0.416 . . . . 0.0 110.574 -178.766 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1919 ' ' ARG . . . . . 0.421 ' HG2' ' O ' ' A' 1915 ' ' HIS . 29.6 mmt180 -71.53 -37.65 71.14 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.633 -174.778 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1920 ' ' VAL . . . . . . . . . . . . . 23.2 m -71.7 -28.84 32.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.937 0.399 . . . . 0.0 110.382 179.031 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1921 ' ' GLN . . . . . . . . . . . . . 28.9 tt0 -66.78 -42.56 85.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.972 -0.558 . . . . 0.0 109.975 175.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1922 ' ' GLU . . . . . 0.446 ' HG3' ' O ' ' A' 1918 ' ' HIS . 40.3 mt-10 -65.08 -40.25 94.39 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.27 176.277 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1923 ' ' LEU . . . . . . . . . . . . . 30.0 mt -64.57 -33.15 75.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.165 177.643 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1924 ' ' GLY . . . . . . . . . . . . . . . -53.91 -45.09 71.57 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 121.273 -0.489 . . . . 0.0 112.806 179.706 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1925 ' ' HIS . . . . . . . . . . . . . 27.7 m80 -78.4 -31.87 48.48 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.917 0.389 . . . . 0.0 110.458 -178.8 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1926 ' ' GLY . . . . . . . . . . . . . . . -69.92 -40.43 74.15 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.207 179.668 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1927 ' ' CYS . . . . . . . . . . . . . 66.7 m -66.19 -43.13 87.72 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.463 0.173 . . . . 0.0 110.784 179.358 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1928 ' ' SER . . . . . . . . . . . . . 21.9 p -65.64 -33.56 76.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.953 0.406 . . . . 0.0 110.665 -178.571 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1929 ' ' ALA . . . . . . . . . . . . . . . -69.38 -45.51 69.14 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.332 176.499 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1930 ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -62.18 -50.23 72.63 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.636 -178.147 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1931 ' ' VAL . . . . . . . . . . . . . 27.6 m -63.08 -28.37 44.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-O 120.7 0.286 . . . . 0.0 111.324 -177.027 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1932 ' ' THR . . . . . . . . . . . . . 86.0 m -72.06 -41.53 67.29 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-O 120.819 0.342 . . . . 0.0 110.23 176.462 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1933 ' ' LYS . . . . . . . . . . . . . 73.6 mmtt -65.53 -40.66 93.18 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.444 176.535 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1934 ' ' ALA . . . . . . . . . . . . . . . -60.5 -48.59 81.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.577 177.174 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1935 ' ' GLY . . . . . . . . . . . . . . . -63.8 -30.27 77.2 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.926 -0.654 . . . . 0.0 112.389 178.71 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1936 ' ' ALA . . . . . . . . . . . . . . . -74.46 -46.54 39.09 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.42 0.152 . . . . 0.0 111.018 179.764 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1937 ' ' LEU . . . . . 0.459 ' CD1' ' HA ' ' A' 1941 ' ' PRO . 30.6 tp -68.17 -28.92 67.7 Favored 'General case' 0 CA--C 1.518 -0.278 0 CA-C-O 121.369 0.604 . . . . 0.0 110.189 179.82 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1938 ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -64.8 -27.85 69.16 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.325 -0.852 . . . . 0.0 109.618 178.138 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1939 ' ' CYS . . . . . . . . . . . . . 58.7 m -86.22 -44.41 12.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.466 176.256 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1940 ' ' SER . . . . . . . . . . . . . 74.5 m -129.09 93.13 37.39 Favored Pre-proline 0 C--N 1.327 -0.41 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.275 -179.882 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1941 ' ' PRO . . . . . 0.459 ' HA ' ' CD1' ' A' 1937 ' ' LEU . 83.2 Cg_endo -84.68 -8.69 9.28 Favored 'Trans proline' 0 CA--C 1.53 0.32 0 C-N-CA 122.896 2.397 . . . . 0.0 113.641 -177.282 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1942 ' ' SER . . . . . . . . . . . . . 38.6 m -86.83 -13.88 43.74 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.914 0.387 . . . . 0.0 111.196 -176.687 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1943 ' ' ASP . . . . . . . . . . . . . 14.8 t70 -86.27 114.63 23.24 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.942 -0.572 . . . . 0.0 109.615 177.484 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1944 ' ' VAL . . . . . . . . . . . . . 3.7 p -72.59 -29.2 29.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.875 -174.166 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1945 ' ' TYR . . . . . . . . . . . . . 92.9 m-85 -66.03 -37.28 85.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.13 0.491 . . . . 0.0 110.411 -178.85 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1946 ' ' THR . . . . . . . . . . . . . 31.6 m -64.64 -41.53 96.07 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.095 175.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1947 ' ' LYS . . . . . 0.403 ' HB3' ' HE2' ' A' 1947 ' ' LYS . 34.2 ttpt -70.92 -44.89 65.22 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.868 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1948 ' ' LYS . . . . . 0.473 ' HE2' ' HA ' ' A' 1948 ' ' LYS . 6.2 mmpt? -53.14 -53.7 46.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.149 -177.493 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1949 ' ' GLU . . . . . . . . . . . . . 62.7 mm-40 -59.94 -29.57 68.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.89 -178.264 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1950 ' ' LEU . . . . . 0.417 HD11 HD22 ' A' 1882 ' ' LEU . 6.3 tt -64.69 -55.27 21.1 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.426 -0.583 . . . . 0.0 109.426 178.329 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1951 ' ' ILE . . . . . 0.551 HG13 ' HB ' ' A' 1872 ' ' VAL . 2.2 mp -63.23 -46.46 95.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.588 179.816 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1952 ' ' GLU . . . . . 0.466 ' O ' ' HG3' ' A' 1956 ' ' ARG . 52.4 mt-10 -64.04 -25.79 68.27 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.593 -177.599 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1953 ' ' CYS . . . . . . . . . . . . . 20.2 t -80.75 -40.4 25.25 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.834 0.349 . . . . 0.0 110.367 178.157 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1954 ' ' ALA . . . . . . . . . . . . . . . -63.71 -39.26 93.86 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.682 -178.087 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1955 ' ' ARG . . . . . 0.417 ' HA ' ' OG ' ' A' 1958 ' ' SER . 0.0 OUTLIER -70.79 -22.91 62.31 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.694 0.283 . . . . 0.0 110.964 179.073 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A 1956 ' ' ARG . . . . . 0.546 ' O ' ' HG2' ' A' 1960 ' ' LYS . 81.7 mtp180 -75.74 -41.23 53.9 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.58 -0.282 . . . . 0.0 110.572 176.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1957 ' ' VAL . . . . . 0.494 ' O ' HG12 ' A' 1961 ' ' VAL . 12.3 m -78.02 -22.97 13.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 C-N-CA 120.96 -0.296 . . . . 0.0 111.474 -177.341 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1958 ' ' SER . . . . . 0.522 ' O ' HG21 ' A' 1961 ' ' VAL . 1.3 p -69.61 -26.94 64.68 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 111.61 0.226 . . . . 0.0 111.61 -177.831 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1959 ' ' GLU . . . . . 0.409 ' HG2' ' O ' ' A' 1956 ' ' ARG . 12.6 pt-20 -80.94 -26.62 36.54 Favored 'General case' 0 C--N 1.331 -0.218 0 C-N-CA 120.195 -0.602 . . . . 0.0 109.801 172.823 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1960 ' ' LYS . . . . . 0.546 ' HG2' ' O ' ' A' 1956 ' ' ARG . 12.5 mmmm -71.04 -35.98 72.19 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.478 -179.701 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1961 ' ' VAL . . . . . 0.727 HG22 ' HB1' ' A' 1865 ' ' ALA . 5.9 m -66.01 -33.49 63.92 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.168 0 CA-C-O 120.952 0.406 . . . . 0.0 109.943 176.054 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1962 ' ' SER . . . . . 0.594 ' HA ' HD13 ' A' 1965 ' ' LEU . 42.2 t -65.92 -27.1 67.93 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 121.354 0.597 . . . . 0.0 109.962 176.794 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1963 ' ' HIS . . . . . . . . . . . . . 62.6 m170 -79.76 -23.96 41.87 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.872 -0.603 . . . . 0.0 110.284 -179.038 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1964 ' ' VAL . . . . . 0.631 HG12 HD13 ' A' 1896 ' ' LEU . 97.8 t -66.5 -46.84 85.46 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.2 0 N-CA-C 108.368 -0.975 . . . . 0.0 108.368 168.171 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1965 ' ' LEU . . . . . 0.594 HD13 ' HA ' ' A' 1962 ' ' SER . 51.1 mt -52.87 -47.57 67.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.135 -0.939 . . . . 0.0 110.391 177.656 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1966 ' ' ALA . . . . . . . . . . . . . . . -68.86 -43.67 74.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.887 -179.243 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1967 ' ' ALA . . . . . . . . . . . . . . . -57.46 -42.49 82.65 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-O 121.006 0.431 . . . . 0.0 111.071 -179.07 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1968 ' ' LEU . . . . . 0.957 ' HB3' ' HG3' ' A' 1854 ' ' GLN . 4.3 mm? -73.42 -41.15 63.63 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.882 179.015 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1969 ' ' GLN . . . . . . . . . . . . . 46.5 mt-30 . . . . . 0 C--N 1.33 -0.267 0 N-CA-C 111.704 0.261 . . . . 0.0 111.704 -178.645 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A 1850 ' ' PHE . . . . . 0.4 ' CZ ' HG23 ' A' 1912 ' ' ILE . 87.2 t80 . . . . . 0 N--CA 1.454 -0.231 0 CA-C-O 121.196 0.522 . . . . 0.0 110.157 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1851 ' ' VAL . . . . . . . . . . . . . 23.6 m -60.09 -31.24 47.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.183 178.701 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1852 ' ' ASP . . . . . . . . . . . . . 20.4 t70 -74.08 -45.82 46.87 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.187 0.518 . . . . 0.0 110.008 -179.733 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1853 ' ' TYR . . . . . 0.544 ' CE1' ' HB2' ' A' 1902 ' ' PRO . 59.7 m-85 -69.56 -24.1 63.66 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.452 -0.794 . . . . 0.0 110.58 -179.765 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1854 ' ' GLN . . . . . 0.937 ' HG3' ' HB3' ' A' 1968 ' ' LEU . 6.2 tt0 -73.4 -55.45 6.36 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.289 174.13 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1855 ' ' THR . . . . . . . . . . . . . 39.4 m -59.01 -38.71 79.86 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.03 -0.532 . . . . 0.0 112.046 -175.878 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1856 ' ' THR . . . . . 0.489 HG21 ' N ' ' A' 1857 ' ' MET . 9.7 t -58.62 -50.45 73.77 Favored 'General case' 0 CA--C 1.537 0.449 0 N-CA-C 111.872 0.323 . . . . 0.0 111.872 -176.342 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1857 ' ' MET . . . . . 0.604 ' SD ' HD21 ' A' 1968 ' ' LEU . 6.4 ptp -81.8 -31.11 31.95 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 112.156 0.428 . . . . 0.0 112.156 -174.833 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1858 ' ' VAL . . . . . 0.467 HG12 ' O ' ' A' 1854 ' ' GLN . 23.4 m -66.78 -36.34 76.96 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.178 0 C-N-CA 119.938 -0.705 . . . . 0.0 110.181 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1859 ' ' ARG . . . . . 0.529 ' HA ' ' HD2' ' A' 1862 ' ' LYS . 6.3 mpt_? -62.22 -42.38 99.25 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-O 121.254 0.55 . . . . 0.0 110.169 172.572 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1860 ' ' THR . . . . . . . . . . . . . 31.6 m -66.93 -40.6 87.66 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.365 -0.834 . . . . 0.0 111.138 -179.042 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1861 ' ' ALA . . . . . . . . . . . . . . . -60.59 -38.61 85.2 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.839 0.352 . . . . 0.0 110.777 178.68 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1862 ' ' LYS . . . . . 0.529 ' HD2' ' HA ' ' A' 1859 ' ' ARG . 40.8 mttm -62.91 -42.65 99.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.28 176.747 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1863 ' ' ALA . . . . . . . . . . . . . . . -66.98 -37.29 83.97 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.774 -179.79 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1864 ' ' ILE . . . . . . . . . . . . . 80.1 mt -64.21 -45.44 96.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.141 175.117 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1865 ' ' ALA . . . . . 0.734 ' HB2' HG22 ' A' 1961 ' ' VAL . . . -59.64 -44.47 93.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.059 -0.519 . . . . 0.0 112.074 -178.768 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1866 ' ' VAL . . . . . 0.621 ' HA ' ' HG2' ' A' 1869 ' ' GLN . 12.5 p -71.59 -33.64 49.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 C-N-CA 120.354 -0.539 . . . . 0.0 110.421 179.3 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1867 ' ' THR . . . . . 0.662 ' O ' ' HG3' ' A' 1871 ' ' MET . 90.0 m -62.68 -51.48 67.07 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.553 0.216 . . . . 0.0 110.472 177.07 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1868 ' ' VAL . . . . . 0.518 ' HA ' ' SD ' ' A' 1871 ' ' MET . 30.6 m -64.17 -31.64 54.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.077 -177.344 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1869 ' ' GLN . . . . . 0.621 ' HG2' ' HA ' ' A' 1866 ' ' VAL . 2.6 pt20 -76.95 -30.22 55.95 Favored 'General case' 0 N--CA 1.453 -0.286 0 C-N-CA 120.485 -0.486 . . . . 0.0 110.174 179.043 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1870 ' ' GLU . . . . . 0.473 ' HG3' ' O ' ' A' 1866 ' ' VAL . 47.6 mt-10 -63.27 -39.0 93.35 Favored 'General case' 0 C--O 1.223 -0.296 0 N-CA-C 109.556 -0.535 . . . . 0.0 109.556 172.404 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1871 ' ' MET . . . . . 0.662 ' HG3' ' O ' ' A' 1867 ' ' THR . 39.2 mtp -59.46 -41.16 89.07 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.813 -179.779 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1872 ' ' VAL . . . . . 1.116 ' HB ' HG13 ' A' 1951 ' ' ILE . 1.5 m -73.99 -28.27 23.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 121.361 0.6 . . . . 0.0 110.596 179.589 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1873 ' ' THR . . . . . . . . . . . . . 38.7 m -77.25 -46.11 24.19 Favored 'General case' 0 N--CA 1.443 -0.818 0 CA-C-N 115.467 -0.788 . . . . 0.0 110.702 -179.352 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1874 ' ' LYS . . . . . 0.463 ' HG3' HD12 ' A' 1885 ' ' LEU . 70.4 mmtt -65.15 -46.26 81.61 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.791 -0.64 . . . . 0.0 111.159 -178.425 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1875 ' ' SER . . . . . 0.622 ' HB3' HD11 ' A' 1882 ' ' LEU . 7.9 p -55.13 -20.03 9.11 Favored 'General case' 0 N--CA 1.467 0.417 0 N-CA-C 113.28 0.844 . . . . 0.0 113.28 -171.705 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1876 ' ' ASN . . . . . . . . . . . . . 93.1 m-20 -66.36 -36.79 83.78 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.746 0.308 . . . . 0.0 111.296 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1877 ' ' THR . . . . . . . . . . . . . 81.2 p -121.24 -31.14 4.17 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.412 0.625 . . . . 0.0 111.322 -179.499 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1878 ' ' SER . . . . . . . . . . . . . 22.7 m -126.01 101.43 29.09 Favored Pre-proline 0 C--N 1.319 -0.734 0 CA-C-N 115.479 -0.782 . . . . 0.0 111.044 -170.801 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1879 ' ' PRO . . . . . 0.674 ' O ' ' HB3' ' A' 1938 ' ' GLN . 64.3 Cg_endo -84.05 -28.03 1.36 Allowed 'Trans proline' 0 N--CA 1.446 -1.28 0 C-N-CA 121.316 1.344 . . . . 0.0 111.738 175.657 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1880 ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -68.43 -29.83 68.57 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.763 178.501 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1881 ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -61.79 -13.91 28.01 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.435 178.308 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1882 ' ' LEU . . . . . 0.702 HD22 HD11 ' A' 1950 ' ' LEU . 0.8 OUTLIER -86.26 -7.13 58.75 Favored 'General case' 0 N--CA 1.438 -1.048 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.492 -175.458 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A 1883 ' ' GLY . . . . . 0.401 ' N ' ' HD2' ' A' 1884 ' ' PRO . . . -66.15 -60.35 6.48 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.677 -0.773 . . . . 0.0 111.844 175.44 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1884 ' ' PRO . . . . . 0.401 ' HD2' ' N ' ' A' 1883 ' ' GLY . 18.5 Cg_endo -60.09 -32.98 95.47 Favored 'Trans proline' 0 C--N 1.348 0.501 0 C-N-CA 122.644 2.23 . . . . 0.0 112.206 176.563 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1885 ' ' LEU . . . . . 0.463 HD12 ' HG3' ' A' 1874 ' ' LYS . 73.1 mt -69.77 -40.06 76.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.654 -179.094 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1886 ' ' ALA . . . . . . . . . . . . . . . -63.43 -44.93 93.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.104 0.478 . . . . 0.0 110.26 177.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1887 ' ' ASN . . . . . . . . . . . . . 58.9 t30 -63.16 -38.33 90.75 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.694 -0.685 . . . . 0.0 110.098 176.504 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1888 ' ' GLN . . . . . 0.41 ' HG3' HG23 ' A' 1867 ' ' THR . 30.9 tp60 -63.19 -48.22 79.26 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.895 179.275 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1889 ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -57.2 -44.53 83.75 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.397 0.618 . . . . 0.0 109.407 177.151 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1890 ' ' THR . . . . . . . . . . . . . 57.2 m -60.52 -47.68 85.09 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.24 -0.891 . . . . 0.0 111.462 -179.264 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1891 ' ' SER . . . . . . . . . . . . . 33.1 m -66.79 -43.78 83.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.694 0.283 . . . . 0.0 111.462 -177.726 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1892 ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -69.05 -40.48 78.51 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.643 -0.253 . . . . 0.0 111.474 -177.168 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1893 ' ' TYR . . . . . . . . . . . . . 51.8 t80 -58.5 -33.27 69.62 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-O 120.908 0.385 . . . . 0.0 110.558 176.351 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1894 ' ' GLY . . . . . . . . . . . . . . . -59.6 -30.26 68.41 Favored Glycine 0 N--CA 1.45 -0.43 0 C-N-CA 121.097 -0.573 . . . . 0.0 112.171 178.639 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1895 ' ' ARG . . . . . 0.401 ' NH2' ' HG1' ' A' 1856 ' ' THR . 35.7 ttt180 -78.43 -39.67 38.1 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.042 0.449 . . . . 0.0 110.31 178.282 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1896 ' ' LEU . . . . . 0.403 HD12 ' HB2' ' A' 1857 ' ' MET . 59.5 tp -61.42 -49.15 78.02 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.891 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1897 ' ' ALA . . . . . . . . . . . . . . . -69.95 -25.05 63.46 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.782 -176.099 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1898 ' ' SER . . . . . . . . . . . . . 11.3 p -82.1 -46.44 13.85 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.918 0.39 . . . . 0.0 110.162 -176.827 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1899 ' ' GLN . . . . . . . . . . . . . 15.2 mm100 -70.56 -11.6 61.03 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.897 179.671 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1900 ' ' ALA . . . . . . . . . . . . . . . -67.74 -28.56 67.74 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.864 176.68 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1901 ' ' LYS . . . . . 0.418 ' HB3' ' CD ' ' A' 1902 ' ' PRO . 22.3 tptm -71.92 -57.69 3.84 Favored Pre-proline 0 CA--C 1.537 0.466 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.362 -177.69 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1902 ' ' PRO . . . . . 0.544 ' HB2' ' CE1' ' A' 1853 ' ' TYR . 29.9 Cg_endo -64.08 -24.38 66.53 Favored 'Trans proline' 0 C--N 1.356 0.932 0 C-N-CA 121.774 1.649 . . . . 0.0 112.164 178.097 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1903 ' ' ALA . . . . . . . . . . . . . . . -71.18 -38.2 72.14 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.884 0.373 . . . . 0.0 110.77 177.117 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1904 ' ' ALA . . . . . . . . . . . . . . . -75.21 -31.35 60.86 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.839 -176.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1905 ' ' VAL . . . . . 0.509 HG23 ' HA ' ' A' 1902 ' ' PRO . 22.7 m -84.71 -17.99 9.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.506 -178.225 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1906 ' ' ALA . . . . . . . . . . . . . . . -102.62 0.35 33.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.614 0.245 . . . . 0.0 110.687 177.424 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1907 ' ' ALA . . . . . . . . . . . . . . . -64.78 135.93 56.34 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.571 179.516 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1908 ' ' GLU . . . . . 0.526 ' OE1' HD11 ' A' 1912 ' ' ILE . 0.0 OUTLIER -89.35 -29.14 19.34 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 121.081 0.467 . . . . 0.0 110.889 -177.252 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A 1909 ' ' ASN . . . . . . . . . . . . . 32.2 m-80 -97.63 166.36 11.54 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.201 0.524 . . . . 0.0 111.524 179.047 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1910 ' ' GLU . . . . . . . . . . . . . 12.1 tp10 -72.42 -53.88 10.94 Favored 'General case' 0 CA--C 1.513 -0.472 0 CA-C-N 115.423 -0.808 . . . . 0.0 110.551 -179.704 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1911 ' ' GLU . . . . . 0.477 ' HB3' ' CD2' ' A' 1915 ' ' HIS . 1.8 mt-10 -72.69 -33.91 66.81 Favored 'General case' 0 N--CA 1.442 -0.827 0 CA-C-N 114.782 -1.099 . . . . 0.0 112.174 -169.414 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1912 ' ' ILE . . . . . 0.579 ' O ' HG13 ' A' 1916 ' ' ILE . 48.7 mt -57.1 -53.71 39.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 C-N-CA 120.702 -0.399 . . . . 0.0 110.66 -178.148 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1913 ' ' GLY . . . . . . . . . . . . . . . -62.08 -32.33 81.93 Favored Glycine 0 N--CA 1.453 -0.227 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.241 179.596 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1914 ' ' ALA . . . . . . . . . . . . . . . -73.55 -44.23 57.97 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.931 0.395 . . . . 0.0 110.757 179.451 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1915 ' ' HIS . . . . . 0.487 ' O ' ' HG2' ' A' 1919 ' ' ARG . 78.3 m-70 -68.02 -37.86 81.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.355 -177.256 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1916 ' ' ILE . . . . . 0.579 HG13 ' O ' ' A' 1912 ' ' ILE . 89.2 mt -51.41 -58.06 2.51 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.161 0 O-C-N 123.363 0.414 . . . . 0.0 111.272 179.823 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1917 ' ' LYS . . . . . . . . . . . . . 52.7 mtmt -69.37 -24.22 63.85 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.505 -176.255 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1918 ' ' HIS . . . . . 0.411 ' O ' ' HG3' ' A' 1922 ' ' GLU . 13.0 m-70 -69.35 -52.76 24.04 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.744 0.307 . . . . 0.0 110.83 175.04 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1919 ' ' ARG . . . . . 0.487 ' HG2' ' O ' ' A' 1915 ' ' HIS . 26.3 mmt180 -68.76 -39.06 80.44 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.099 -0.501 . . . . 0.0 112.033 -171.872 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1920 ' ' VAL . . . . . . . . . . . . . 30.6 m -64.75 -29.2 46.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.924 0.392 . . . . 0.0 110.494 179.078 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1921 ' ' GLN . . . . . . . . . . . . . 5.7 tt0 -71.28 -42.77 68.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.309 0.576 . . . . 0.0 110.488 178.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1922 ' ' GLU . . . . . 0.411 ' HG3' ' O ' ' A' 1918 ' ' HIS . 37.7 mt-10 -72.34 -31.33 65.54 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.708 0.766 . . . . 0.0 108.996 -176.551 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1923 ' ' LEU . . . . . 0.602 ' HG ' ' HB3' ' A' 1960 ' ' LYS . 0.7 OUTLIER -69.61 -47.66 62.7 Favored 'General case' 0 N--CA 1.446 -0.635 0 CA-C-N 114.667 -1.151 . . . . 0.0 109.781 176.679 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A 1924 ' ' GLY . . . . . . . . . . . . . . . -61.01 -39.93 97.77 Favored Glycine 0 N--CA 1.451 -0.336 0 CA-C-N 115.785 -0.643 . . . . 0.0 113.326 -177.714 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1925 ' ' HIS . . . . . . . . . . . . . 29.6 m170 -62.43 -31.35 72.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.862 0.363 . . . . 0.0 110.816 178.555 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1926 ' ' GLY . . . . . 0.509 ' HA3' HG11 ' A' 1957 ' ' VAL . . . -77.01 -34.68 41.29 Favored Glycine 0 N--CA 1.448 -0.504 0 C-N-CA 120.543 -0.837 . . . . 0.0 111.633 175.187 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1927 ' ' CYS . . . . . . . . . . . . . 64.0 m -63.81 -47.37 81.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.729 0.3 . . . . 0.0 110.683 178.534 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1928 ' ' SER . . . . . . . . . . . . . 5.5 p -60.96 -37.32 81.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.063 -178.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1929 ' ' ALA . . . . . . . . . . . . . . . -69.13 -42.89 75.42 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.046 0.451 . . . . 0.0 110.54 176.47 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1930 ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -63.45 -49.63 72.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.276 -177.593 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1931 ' ' VAL . . . . . . . . . . . . . 27.8 m -61.95 -27.13 41.75 Favored 'Isoleucine or valine' 0 C--O 1.234 0.282 0 CA-C-O 120.822 0.344 . . . . 0.0 111.22 -178.096 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1932 ' ' THR . . . . . . . . . . . . . 55.7 m -70.96 -46.31 62.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.456 176.362 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1933 ' ' LYS . . . . . . . . . . . . . 33.7 mmtp -71.64 -30.72 66.07 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.363 -0.381 . . . . 0.0 111.224 -178.391 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1934 ' ' ALA . . . . . . . . . . . . . . . -59.46 -53.61 56.11 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.99 0.424 . . . . 0.0 111.372 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1935 ' ' GLY . . . . . . . . . . . . . . . -70.74 -25.17 76.19 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 121.149 -0.548 . . . . 0.0 112.039 178.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1936 ' ' ALA . . . . . . . . . . . . . . . -75.0 -39.02 61.44 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.668 0.27 . . . . 0.0 110.747 179.393 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1937 ' ' LEU . . . . . . . . . . . . . 61.2 tp -66.01 -37.82 86.89 Favored 'General case' 0 CA--C 1.517 -0.317 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.066 -179.748 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1938 ' ' GLN . . . . . 0.674 ' HB3' ' O ' ' A' 1879 ' ' PRO . 3.1 pt20 -73.66 -25.08 60.09 Favored 'General case' 0 C--N 1.322 -0.589 0 C-N-CA 119.782 -0.767 . . . . 0.0 110.526 178.021 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1939 ' ' CYS . . . . . . . . . . . . . 16.6 t -82.39 -11.43 58.56 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.152 0.501 . . . . 0.0 110.228 176.046 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1940 ' ' SER . . . . . . . . . . . . . 48.2 m -146.73 71.83 12.59 Favored Pre-proline 0 C--N 1.326 -0.436 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.675 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1941 ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -77.26 -6.41 16.45 Favored 'Trans proline' 0 C--N 1.344 0.328 0 C-N-CA 122.508 2.138 . . . . 0.0 112.842 -174.597 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1942 ' ' SER . . . . . . . . . . . . . 33.3 t -91.99 2.18 56.71 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.939 0.399 . . . . 0.0 110.447 -179.35 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1943 ' ' ASP . . . . . . . . . . . . . 17.3 t70 -109.14 106.36 16.21 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.307 179.63 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1944 ' ' VAL . . . . . 0.464 ' O ' ' HG2' ' A' 1948 ' ' LYS . 10.8 p -71.93 -25.9 24.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.895 -176.752 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1945 ' ' TYR . . . . . . . . . . . . . 89.7 m-85 -68.58 -38.05 80.38 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.733 -176.568 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1946 ' ' THR . . . . . . . . . . . . . 92.1 m -59.28 -38.22 79.62 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.352 174.589 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1947 ' ' LYS . . . . . 0.476 ' HG3' ' HB2' ' A' 1875 ' ' SER . 15.1 ttpp -68.65 -43.55 76.03 Favored 'General case' 0 N--CA 1.453 -0.283 0 CA-C-N 116.079 -0.509 . . . . 0.0 109.829 176.863 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1948 ' ' LYS . . . . . 0.577 ' O ' ' HG2' ' A' 1952 ' ' GLU . 7.7 mmpt? -53.9 -53.05 58.07 Favored 'General case' 0 C--N 1.332 -0.152 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.535 -179.79 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1949 ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -57.86 -37.67 74.32 Favored 'General case' 0 N--CA 1.464 0.26 0 O-C-N 123.47 0.481 . . . . 0.0 111.179 -179.018 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1950 ' ' LEU . . . . . 0.702 HD11 HD22 ' A' 1882 ' ' LEU . 7.7 tt -60.53 -49.69 76.52 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.529 -178.025 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1951 ' ' ILE . . . . . 1.116 HG13 ' HB ' ' A' 1872 ' ' VAL . 2.0 mp -64.31 -41.43 92.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.301 177.512 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1952 ' ' GLU . . . . . 0.577 ' HG2' ' O ' ' A' 1948 ' ' LYS . 32.1 mm-40 -62.38 -36.59 82.76 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.057 -179.027 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1953 ' ' CYS . . . . . . . . . . . . . 36.3 t -75.43 -42.9 52.31 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.524 -0.307 . . . . 0.0 111.005 -178.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1954 ' ' ALA . . . . . . . . . . . . . . . -61.04 -39.72 90.9 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.71 -176.552 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1955 ' ' ARG . . . . . 0.531 ' HE ' ' HA ' ' A' 1952 ' ' GLU . 8.9 ptp180 -63.06 -30.91 71.97 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.842 0.353 . . . . 0.0 110.497 -179.896 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1956 ' ' ARG . . . . . 0.486 ' HG3' ' O ' ' A' 1952 ' ' GLU . 81.2 mtp180 -80.0 -37.08 34.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.368 -175.69 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1957 ' ' VAL . . . . . 0.509 HG11 ' HA3' ' A' 1926 ' ' GLY . 10.5 m -71.8 -29.69 34.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 C-N-CA 120.586 -0.446 . . . . 0.0 110.138 179.394 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1958 ' ' SER . . . . . 0.704 ' O ' HG21 ' A' 1961 ' ' VAL . 39.4 t -66.81 -24.08 66.13 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.318 177.689 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1959 ' ' GLU . . . . . 0.44 ' OE1' ' HA ' ' A' 1956 ' ' ARG . 42.4 mt-10 -68.0 -41.14 82.7 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.427 -0.583 . . . . 0.0 109.427 173.632 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1960 ' ' LYS . . . . . 0.602 ' HB3' ' HG ' ' A' 1923 ' ' LEU . 1.5 mppt? -66.48 -32.31 73.59 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.512 -0.767 . . . . 0.0 111.288 -179.502 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1961 ' ' VAL . . . . . 0.734 HG22 ' HB2' ' A' 1865 ' ' ALA . 2.3 m -63.38 -35.01 70.62 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.142 0 CA-C-O 120.992 0.425 . . . . 0.0 109.882 178.596 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1962 ' ' SER . . . . . 0.488 ' HA ' HD12 ' A' 1965 ' ' LEU . 10.4 t -76.85 -26.87 54.78 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-N 116.018 -0.537 . . . . 0.0 109.709 179.123 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1963 ' ' HIS . . . . . . . . . . . . . 66.6 m170 -72.94 -30.0 63.53 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.042 178.881 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1964 ' ' VAL . . . . . 0.607 ' O ' HD22 ' A' 1968 ' ' LEU . 64.3 t -67.53 -47.59 79.92 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.201 0 N-CA-C 109.119 -0.697 . . . . 0.0 109.119 171.169 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1965 ' ' LEU . . . . . 0.56 ' HG ' ' O ' ' A' 1961 ' ' VAL . 84.5 mt -53.29 -54.76 31.69 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.949 179.436 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1966 ' ' ALA . . . . . . . . . . . . . . . -62.48 -33.63 75.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.91 -177.516 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1967 ' ' ALA . . . . . . . . . . . . . . . -66.53 -45.49 79.29 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.198 -178.855 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1968 ' ' LEU . . . . . 0.937 ' HB3' ' HG3' ' A' 1854 ' ' GLN . 3.8 mm? -73.1 -30.77 63.89 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.896 -178.426 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1969 ' ' GLN . . . . . . . . . . . . . 73.8 mt-30 . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.969 -175.915 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A 1850 ' ' PHE . . . . . 0.531 ' HB2' ' O ' ' A' 1906 ' ' ALA . 76.4 t80 . . . . . 0 N--CA 1.457 -0.079 0 CA-C-O 120.734 0.302 . . . . 0.0 110.987 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1851 ' ' VAL . . . . . . . . . . . . . 6.2 m -57.69 -32.8 43.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.302 -178.718 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1852 ' ' ASP . . . . . . . . . . . . . 21.8 t70 -76.33 -48.87 18.51 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.5 -178.314 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1853 ' ' TYR . . . . . 0.441 ' CE1' ' HB2' ' A' 1902 ' ' PRO . 56.4 m-85 -66.81 -33.54 75.83 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.593 -178.816 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1854 ' ' GLN . . . . . 0.541 ' HA ' HD13 ' A' 1968 ' ' LEU . 29.5 tt0 -58.63 -59.86 4.73 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.159 173.499 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1855 ' ' THR . . . . . 0.571 ' O ' ' HG2' ' A' 1859 ' ' ARG . 25.3 m -62.51 -37.88 87.76 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.528 -0.76 . . . . 0.0 112.126 -173.678 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1856 ' ' THR . . . . . 0.504 HG22 ' N ' ' A' 1857 ' ' MET . 14.5 t -66.16 -49.53 67.08 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 111.923 0.342 . . . . 0.0 111.923 -174.358 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1857 ' ' MET . . . . . 0.649 ' HB2' HD12 ' A' 1896 ' ' LEU . 1.1 ptp -82.35 -22.77 35.38 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 120.594 -0.443 . . . . 0.0 111.567 -171.759 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1858 ' ' VAL . . . . . . . . . . . . . 34.2 m -70.76 -30.41 41.89 Favored 'Isoleucine or valine' 0 CA--C 1.523 -0.062 0 C-N-CA 120.001 -0.679 . . . . 0.0 109.818 175.591 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1859 ' ' ARG . . . . . 0.571 ' HG2' ' O ' ' A' 1855 ' ' THR . 38.7 mmt180 -61.72 -44.12 97.54 Favored 'General case' 0 CA--C 1.516 -0.332 0 N-CA-C 109.122 -0.696 . . . . 0.0 109.122 172.122 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1860 ' ' THR . . . . . 0.425 ' O ' HG13 ' A' 1864 ' ' ILE . 5.7 m -62.52 -41.43 98.85 Favored 'General case' 0 N--CA 1.449 -0.515 0 CA-C-N 115.15 -0.932 . . . . 0.0 110.843 -179.836 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1861 ' ' ALA . . . . . . . . . . . . . . . -62.41 -46.05 90.32 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.895 0.379 . . . . 0.0 110.82 178.621 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1862 ' ' LYS . . . . . 0.407 ' HE2' HD21 ' A' 1965 ' ' LEU . 46.4 mttm -64.53 -36.07 83.02 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.508 177.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1863 ' ' ALA . . . . . . . . . . . . . . . -70.45 -37.1 74.27 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.807 178.616 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1864 ' ' ILE . . . . . 0.624 ' O ' HG13 ' A' 1868 ' ' VAL . 63.7 mt -65.66 -42.18 92.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 N-CA-C 110.134 -0.321 . . . . 0.0 110.134 175.148 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1865 ' ' ALA . . . . . 0.714 ' HB2' HG21 ' A' 1961 ' ' VAL . . . -54.69 -48.94 71.81 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.757 -179.073 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1866 ' ' VAL . . . . . . . . . . . . . 10.3 p -64.85 -34.15 68.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 C-N-CA 120.71 -0.396 . . . . 0.0 110.744 -179.621 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1867 ' ' THR . . . . . 0.485 ' O ' ' HG3' ' A' 1871 ' ' MET . 11.9 m -66.18 -49.49 67.17 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.81 -0.177 . . . . 0.0 110.867 178.602 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1868 ' ' VAL . . . . . 0.624 HG13 ' O ' ' A' 1864 ' ' ILE . 3.1 m -65.2 -32.77 59.73 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.287 0 CA-C-O 121.488 0.661 . . . . 0.0 110.554 -178.616 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1869 ' ' GLN . . . . . . . . . . . . . 5.5 tp-100 -77.63 -34.91 53.14 Favored 'General case' 0 N--CA 1.427 -1.576 0 CA-C-N 115.278 -0.874 . . . . 0.0 110.261 -177.849 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1870 ' ' GLU . . . . . . . . . . . . . 32.5 mm-40 -71.97 -31.09 65.94 Favored 'General case' 0 C--O 1.22 -0.472 0 CA-C-N 116.544 -0.298 . . . . 0.0 110.816 172.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1871 ' ' MET . . . . . 0.485 ' HG3' ' O ' ' A' 1867 ' ' THR . 7.6 mtt -55.23 -48.99 73.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.699 0.285 . . . . 0.0 110.926 177.268 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1872 ' ' VAL . . . . . 0.462 ' CG1' ' HA ' ' A' 1951 ' ' ILE . 32.9 m -72.88 -28.96 28.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.98 0.419 . . . . 0.0 111.092 179.809 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1873 ' ' THR . . . . . . . . . . . . . 85.6 m -71.17 -43.64 67.08 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.574 177.454 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1874 ' ' LYS . . . . . . . . . . . . . 75.2 mmtt -71.04 -47.51 58.16 Favored 'General case' 0 C--O 1.22 -0.469 0 CA-C-N 116.044 -0.526 . . . . 0.0 111.142 -178.783 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1875 ' ' SER . . . . . 0.524 ' HB3' HD11 ' A' 1882 ' ' LEU . 11.2 p -54.68 -22.08 12.67 Favored 'General case' 0 N--CA 1.466 0.341 0 N-CA-C 113.006 0.743 . . . . 0.0 113.006 -172.638 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1876 ' ' ASN . . . . . . . . . . . . . 94.0 m-20 -70.56 -23.55 62.63 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 111.8 0.296 . . . . 0.0 111.8 -179.781 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1877 ' ' THR . . . . . . . . . . . . . 46.9 p -132.38 -25.8 1.92 Allowed 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 112.317 0.488 . . . . 0.0 112.317 179.571 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1878 ' ' SER . . . . . . . . . . . . . 25.9 m -136.75 107.29 9.04 Favored Pre-proline 0 C--N 1.321 -0.655 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.56 -169.86 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1879 ' ' PRO . . . . . 0.914 ' HG3' ' HB3' ' A' 1941 ' ' PRO . 26.1 Cg_endo -90.39 -7.79 4.07 Favored 'Trans proline' 0 N--CA 1.446 -1.299 0 C-N-CA 122.145 1.897 . . . . 0.0 111.72 172.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1880 ' ' GLU . . . . . . . . . . . . . 28.2 mm-40 -78.35 -36.06 46.67 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.67 179.343 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1881 ' ' GLU . . . . . . . . . . . . . 49.0 mm-40 -67.37 -14.86 63.31 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-O 121.247 0.546 . . . . 0.0 110.827 -179.524 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1882 ' ' LEU . . . . . 0.747 HD13 ' HA ' ' A' 1879 ' ' PRO . 1.1 mt -79.41 -10.66 59.85 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.668 -0.697 . . . . 0.0 112.298 -174.41 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1883 ' ' GLY . . . . . . . . . . . . . . . -65.75 -61.57 5.48 Favored Glycine 0 N--CA 1.453 -0.214 0 C-N-CA 120.43 -0.891 . . . . 0.0 112.131 176.522 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1884 ' ' PRO . . . . . 0.418 ' O ' ' HB2' ' A' 1888 ' ' GLN . 14.0 Cg_endo -59.01 -38.7 86.38 Favored 'Trans proline' 0 N--CA 1.462 -0.351 0 C-N-CA 122.413 2.075 . . . . 0.0 112.095 175.831 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1885 ' ' LEU . . . . . . . . . . . . . 81.0 mt -61.71 -43.69 98.36 Favored 'General case' 0 N--CA 1.463 0.2 0 N-CA-C 111.688 0.255 . . . . 0.0 111.688 -178.597 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1886 ' ' ALA . . . . . . . . . . . . . . . -63.42 -48.41 77.92 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.895 0.379 . . . . 0.0 110.951 -179.001 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1887 ' ' ASN . . . . . . . . . . . . . 94.1 m-20 -68.02 -30.59 69.87 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.217 -179.872 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1888 ' ' GLN . . . . . 0.418 ' HB2' ' O ' ' A' 1884 ' ' PRO . 0.9 OUTLIER -63.61 -56.17 17.97 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.637 -0.71 . . . . 0.0 109.994 178.515 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A 1889 ' ' LEU . . . . . 0.526 HD12 HG11 ' A' 1868 ' ' VAL . 1.1 tt -53.32 -43.05 67.32 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.143 -0.935 . . . . 0.0 109.596 178.644 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1890 ' ' THR . . . . . . . . . . . . . 40.7 m -60.18 -44.22 95.24 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.453 -0.794 . . . . 0.0 111.059 179.203 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1891 ' ' SER . . . . . . . . . . . . . 35.9 m -67.13 -44.65 79.33 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.154 -178.434 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1892 ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -64.63 -44.35 90.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.211 -179.343 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1893 ' ' TYR . . . . . . . . . . . . . 41.0 t80 -57.42 -41.37 80.26 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-O 120.613 0.245 . . . . 0.0 110.679 177.554 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1894 ' ' GLY . . . . . . . . . . . . . . . -56.5 -38.82 82.41 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 121.087 -0.578 . . . . 0.0 112.3 178.268 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1895 ' ' ARG . . . . . . . . . . . . . 74.6 ttt180 -71.84 -47.4 53.39 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.089 0.471 . . . . 0.0 110.185 176.54 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1896 ' ' LEU . . . . . 0.649 HD12 ' HB2' ' A' 1857 ' ' MET . 60.1 tp -55.43 -55.54 30.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.564 -0.744 . . . . 0.0 111.8 -177.705 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1897 ' ' ALA . . . . . . . . . . . . . . . -64.06 -24.29 67.65 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.812 -175.69 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1898 ' ' SER . . . . . . . . . . . . . 50.6 m -82.6 -32.85 28.2 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.128 0.489 . . . . 0.0 110.196 -177.272 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1899 ' ' GLN . . . . . . . . . . . . . 15.6 mt-30 -73.96 -9.47 58.67 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.502 -0.772 . . . . 0.0 110.551 178.615 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1900 ' ' ALA . . . . . . . . . . . . . . . -71.82 -32.7 67.83 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.32 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1901 ' ' LYS . . . . . 0.409 ' N ' ' HD2' ' A' 1902 ' ' PRO . 21.8 tptm -67.84 -56.66 11.18 Favored Pre-proline 0 CA--C 1.537 0.464 0 C-N-CA 120.864 -0.334 . . . . 0.0 111.491 -177.62 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1902 ' ' PRO . . . . . 0.441 ' HB2' ' CE1' ' A' 1853 ' ' TYR . 28.5 Cg_endo -63.24 -25.76 72.13 Favored 'Trans proline' 0 C--N 1.354 0.825 0 C-N-CA 122.001 1.801 . . . . 0.0 112.353 179.62 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1903 ' ' ALA . . . . . 0.42 ' HB2' ' HB3' ' A' 1853 ' ' TYR . . . -74.47 -29.92 61.64 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.966 0.412 . . . . 0.0 110.688 178.101 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1904 ' ' ALA . . . . . . . . . . . . . . . -76.21 -28.22 57.12 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.777 -177.612 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1905 ' ' VAL . . . . . . . . . . . . . 34.4 m -92.22 -3.88 10.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.552 178.645 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1906 ' ' ALA . . . . . 0.531 ' O ' ' HB2' ' A' 1850 ' ' PHE . . . -111.25 9.55 21.73 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.234 177.082 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1907 ' ' ALA . . . . . . . . . . . . . . . -64.48 135.12 55.74 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.438 -0.801 . . . . 0.0 111.828 -176.232 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1908 ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -73.4 -27.22 61.34 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.571 -0.741 . . . . 0.0 110.271 177.425 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1909 ' ' ASN . . . . . 0.418 ' HB2' ' CD1' ' A' 1912 ' ' ILE . 85.9 m-20 -137.56 159.02 43.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.012 -179.565 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1910 ' ' GLU . . . . . . . . . . . . . 27.3 tt0 -55.96 -53.67 54.1 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 123.701 0.626 . . . . 0.0 111.693 -177.666 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1911 ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -62.91 -39.08 93.45 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.72 -0.673 . . . . 0.0 111.46 -174.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1912 ' ' ILE . . . . . 0.629 ' O ' HG13 ' A' 1916 ' ' ILE . 80.6 mt -52.12 -53.4 18.64 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 O-C-N 123.308 0.38 . . . . 0.0 110.715 -178.886 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1913 ' ' GLY . . . . . 0.555 ' HA2' HD12 ' A' 1916 ' ' ILE . . . -65.55 -26.83 72.06 Favored Glycine 0 CA--C 1.517 0.208 0 C-N-CA 120.968 -0.635 . . . . 0.0 112.702 -179.085 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1914 ' ' ALA . . . . . . . . . . . . . . . -76.15 -42.25 47.34 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.737 0.303 . . . . 0.0 110.642 179.855 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1915 ' ' HIS . . . . . 0.584 ' O ' ' HG2' ' A' 1919 ' ' ARG . 96.1 m-70 -66.09 -36.4 83.08 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.841 -178.609 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1916 ' ' ILE . . . . . 0.629 HG13 ' O ' ' A' 1912 ' ' ILE . 89.9 mt -52.9 -57.21 4.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.01 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1917 ' ' LYS . . . . . 0.594 ' HB2' ' HZ1' ' A' 1917 ' ' LYS . 9.5 mtmp? -68.66 -26.92 65.56 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.713 -179.351 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1918 ' ' HIS . . . . . . . . . . . . . 49.9 t-80 -63.98 -44.9 91.31 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.234 0.54 . . . . 0.0 110.009 177.588 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1919 ' ' ARG . . . . . 0.617 ' HD2' ' HB3' ' A' 1963 ' ' HIS . 21.7 mmt180 -76.74 -29.2 56.06 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.438 -0.801 . . . . 0.0 111.97 -172.422 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1920 ' ' VAL . . . . . . . . . . . . . 24.6 m -78.84 -26.28 13.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 C-N-CA 120.337 -0.545 . . . . 0.0 110.439 177.262 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1921 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.37 -40.17 64.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.073 0.463 . . . . 0.0 110.188 179.406 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1922 ' ' GLU . . . . . 0.565 ' HG3' ' HG3' ' A' 1960 ' ' LYS . 10.9 pt-20 -72.43 -28.22 62.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 109.925 179.659 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1923 ' ' LEU . . . . . 0.992 ' HG ' ' HB3' ' A' 1960 ' ' LYS . 4.5 mt -71.51 -37.88 71.17 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.518 174.08 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1924 ' ' GLY . . . . . . . . . . . . . . . -54.53 -45.42 76.9 Favored Glycine 0 N--CA 1.453 -0.199 0 CA-C-N 116.15 -0.477 . . . . 0.0 113.008 -178.461 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1925 ' ' HIS . . . . . . . . . . . . . 33.3 m170 -62.39 -48.07 81.36 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.038 0.447 . . . . 0.0 110.458 179.27 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1926 ' ' GLY . . . . . 0.454 ' HA3' HG13 ' A' 1957 ' ' VAL . . . -68.12 -43.53 80.54 Favored Glycine 0 N--CA 1.448 -0.53 0 CA-C-N 115.756 -0.656 . . . . 0.0 112.934 -176.764 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1927 ' ' CYS . . . . . . . . . . . . . 82.4 m -61.81 -46.63 88.69 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.714 0.292 . . . . 0.0 111.049 -178.833 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1928 ' ' SER . . . . . . . . . . . . . 15.9 m -65.39 -36.85 85.21 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.776 -178.129 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1929 ' ' ALA . . . . . . . . . . . . . . . -70.19 -40.67 74.47 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.04 0.448 . . . . 0.0 110.482 177.185 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1930 ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -61.9 -51.82 66.61 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.631 -178.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1931 ' ' VAL . . . . . . . . . . . . . 31.7 m -63.15 -28.4 45.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.623 -0.262 . . . . 0.0 111.125 -177.683 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1932 ' ' THR . . . . . . . . . . . . . 91.8 m -65.12 -48.09 74.83 Favored 'General case' 0 N--CA 1.453 -0.3 0 N-CA-C 109.914 -0.402 . . . . 0.0 109.914 175.283 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1933 ' ' LYS . . . . . . . . . . . . . 74.0 mmtt -69.6 -35.54 75.41 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.919 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1934 ' ' ALA . . . . . . . . . . . . . . . -59.57 -50.15 75.0 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.601 176.369 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1935 ' ' GLY . . . . . . . . . . . . . . . -67.51 -35.43 86.72 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.816 -0.707 . . . . 0.0 112.028 177.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1936 ' ' ALA . . . . . . . . . . . . . . . -63.9 -46.39 85.07 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.552 0.215 . . . . 0.0 111.138 178.706 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1937 ' ' LEU . . . . . 0.443 ' N ' HG23 ' A' 1946 ' ' THR . 36.2 tp -69.05 -30.55 68.91 Favored 'General case' 0 CA--C 1.514 -0.406 0 CA-C-O 121.277 0.561 . . . . 0.0 109.851 178.295 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1938 ' ' GLN . . . . . . . . . . . . . 11.1 tt0 -60.51 -40.09 90.15 Favored 'General case' 0 N--CA 1.444 -0.749 0 CA-C-N 115.387 -0.824 . . . . 0.0 110.246 177.558 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1939 ' ' CYS . . . . . . . . . . . . . 86.3 m -79.61 -32.64 41.87 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.153 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1940 ' ' SER . . . . . . . . . . . . . 45.6 m -122.47 81.75 46.77 Favored Pre-proline 0 C--N 1.327 -0.386 0 CA-C-O 120.875 0.369 . . . . 0.0 110.692 178.042 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1941 ' ' PRO . . . . . 0.914 ' HB3' ' HG3' ' A' 1879 ' ' PRO . 23.3 Cg_exo -67.25 -22.32 46.67 Favored 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 123.332 2.688 . . . . 0.0 113.149 -174.317 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1942 ' ' SER . . . . . . . . . . . . . 44.7 m -99.09 11.66 38.38 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.236 -176.129 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1943 ' ' ASP . . . . . . . . . . . . . 19.3 t70 -98.33 107.39 19.84 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.935 0.397 . . . . 0.0 110.044 177.03 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1944 ' ' VAL . . . . . . . . . . . . . 10.6 p -72.64 -27.87 26.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.312 -175.505 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1945 ' ' TYR . . . . . . . . . . . . . 90.4 m-85 -64.76 -45.47 86.25 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.978 0.418 . . . . 0.0 110.35 -177.435 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1946 ' ' THR . . . . . 0.443 HG23 ' N ' ' A' 1937 ' ' LEU . 55.3 m -60.9 -40.62 93.8 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.622 176.252 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1947 ' ' LYS . . . . . . . . . . . . . 28.2 ttpt -64.67 -42.15 95.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.088 179.501 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1948 ' ' LYS . . . . . 0.543 ' HE2' ' HA ' ' A' 1948 ' ' LYS . 8.6 mmpt? -55.82 -50.56 70.2 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.856 179.278 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1949 ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 -58.43 -35.78 72.61 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.046 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1950 ' ' LEU . . . . . . . . . . . . . 6.8 tt -63.35 -51.87 64.16 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.105 179.641 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1951 ' ' ILE . . . . . 0.462 ' HA ' ' CG1' ' A' 1872 ' ' VAL . 1.8 mp -60.24 -45.43 96.17 Favored 'Isoleucine or valine' 0 C--O 1.235 0.32 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.849 179.892 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1952 ' ' GLU . . . . . 0.517 ' O ' ' HG3' ' A' 1956 ' ' ARG . 7.6 mm-40 -62.91 -35.83 81.37 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.403 -177.778 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1953 ' ' CYS . . . . . 0.418 ' O ' HG12 ' A' 1957 ' ' VAL . 16.5 t -77.01 -46.76 22.72 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.584 -0.28 . . . . 0.0 111.009 -177.149 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1954 ' ' ALA . . . . . . . . . . . . . . . -60.98 -40.07 92.03 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 112.173 0.435 . . . . 0.0 112.173 -174.812 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1955 ' ' ARG . . . . . 0.411 HH21 ' CD ' ' A' 1952 ' ' GLU . 47.0 ptt85 -67.93 -24.65 65.21 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 120.954 -0.298 . . . . 0.0 111.013 -179.058 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1956 ' ' ARG . . . . . 0.517 ' HG3' ' O ' ' A' 1952 ' ' GLU . 25.3 mtm180 -81.55 -40.06 23.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.827 0.346 . . . . 0.0 111.212 179.432 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1957 ' ' VAL . . . . . 0.454 HG13 ' HA3' ' A' 1926 ' ' GLY . 9.9 m -71.74 -23.65 22.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.601 -0.272 . . . . 0.0 111.019 -176.569 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1958 ' ' SER . . . . . 0.709 ' O ' HG23 ' A' 1961 ' ' VAL . 19.8 t -64.81 -23.77 67.34 Favored 'General case' 0 C--O 1.222 -0.383 0 CA-C-N 116.525 -0.307 . . . . 0.0 110.231 178.186 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1959 ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -69.8 -38.71 76.73 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.346 0.593 . . . . 0.0 109.653 174.633 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1960 ' ' LYS . . . . . 0.992 ' HB3' ' HG ' ' A' 1923 ' ' LEU . 13.0 mptt -63.68 -33.1 74.88 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.303 -0.862 . . . . 0.0 110.631 -178.644 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1961 ' ' VAL . . . . . 0.714 HG21 ' HB2' ' A' 1865 ' ' ALA . 1.6 m -66.11 -38.79 82.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 116.16 -0.473 . . . . 0.0 109.98 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1962 ' ' SER . . . . . 0.442 ' HA ' HD11 ' A' 1965 ' ' LEU . 3.4 m -70.57 -25.69 63.19 Favored 'General case' 0 N--CA 1.442 -0.836 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.165 177.077 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1963 ' ' HIS . . . . . 0.617 ' HB3' ' HD2' ' A' 1919 ' ' ARG . 67.5 m170 -72.3 -39.26 68.42 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.379 -0.828 . . . . 0.0 110.346 179.655 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1964 ' ' VAL . . . . . 0.491 ' O ' HD23 ' A' 1968 ' ' LEU . 92.3 t -60.27 -42.38 90.33 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.151 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 173.186 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1965 ' ' LEU . . . . . 0.622 ' HG ' ' O ' ' A' 1961 ' ' VAL . 65.8 mt -58.65 -47.87 82.98 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.48 -0.782 . . . . 0.0 111.066 179.142 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1966 ' ' ALA . . . . . . . . . . . . . . . -70.03 -30.26 67.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.854 -177.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1967 ' ' ALA . . . . . . . . . . . . . . . -69.62 -48.05 61.37 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.864 0.364 . . . . 0.0 110.992 179.587 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1968 ' ' LEU . . . . . 0.542 HD22 ' SD ' ' A' 1857 ' ' MET . 4.2 mm? -78.91 -42.3 27.5 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.766 -174.838 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1969 ' ' GLN . . . . . . . . . . . . . 47.6 mt-30 . . . . . 0 C--N 1.327 -0.4 0 CA-C-O 120.674 0.273 . . . . 0.0 111.487 -175.478 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A 1850 ' ' PHE . . . . . . . . . . . . . 89.3 t80 . . . . . 0 CA--C 1.528 0.108 0 CA-C-O 120.846 0.355 . . . . 0.0 110.914 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A 1851 ' ' VAL . . . . . . . . . . . . . 17.2 m -61.61 -29.48 46.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.811 -176.501 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1852 ' ' ASP . . . . . . . . . . . . . 21.4 t70 -70.1 -50.22 43.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.977 0.418 . . . . 0.0 110.36 -179.66 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1853 ' ' TYR . . . . . 0.506 ' O ' ' HG2' ' A' 1857 ' ' MET . 36.0 m-85 -66.82 -37.22 84.1 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.64 -0.709 . . . . 0.0 109.947 179.415 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1854 ' ' GLN . . . . . 0.815 ' HG3' ' HB3' ' A' 1968 ' ' LEU . 48.0 tt0 -56.27 -58.67 6.97 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.324 -0.853 . . . . 0.0 111.083 177.036 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1855 ' ' THR . . . . . 0.441 ' O ' ' HG2' ' A' 1859 ' ' ARG . 28.7 m -59.24 -41.15 88.06 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.854 -0.612 . . . . 0.0 112.035 -174.194 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1856 ' ' THR . . . . . 0.516 HG22 ' N ' ' A' 1857 ' ' MET . 15.0 t -66.71 -46.19 76.32 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 111.993 0.368 . . . . 0.0 111.993 -174.034 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1857 ' ' MET . . . . . 0.578 ' HE1' ' HA ' ' A' 1900 ' ' ALA . 13.6 ptm -79.93 -24.15 41.26 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.828 -0.349 . . . . 0.0 111.455 -173.085 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1858 ' ' VAL . . . . . 0.41 HG11 ' O ' ' A' 1854 ' ' GLN . 19.1 m -72.99 -34.53 46.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 C-N-CA 119.704 -0.799 . . . . 0.0 109.42 173.662 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1859 ' ' ARG . . . . . 0.441 ' HG2' ' O ' ' A' 1855 ' ' THR . 15.5 mmm180 -66.25 -39.31 89.41 Favored 'General case' 0 CA--C 1.52 -0.191 0 N-CA-C 109.406 -0.59 . . . . 0.0 109.406 173.036 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1860 ' ' THR . . . . . 0.508 ' O ' HG13 ' A' 1864 ' ' ILE . 33.8 m -64.54 -41.37 96.39 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.516 -0.765 . . . . 0.0 110.678 178.086 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1861 ' ' ALA . . . . . 0.424 ' HB3' ' HB ' ' A' 1961 ' ' VAL . . . -62.48 -39.92 95.0 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.897 0.38 . . . . 0.0 110.725 177.29 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1862 ' ' LYS . . . . . . . . . . . . . 59.6 mttm -67.09 -33.42 75.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.394 176.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1863 ' ' ALA . . . . . . . . . . . . . . . -65.25 -45.63 83.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.061 175.194 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1864 ' ' ILE . . . . . 0.621 HG12 ' HB3' ' A' 1892 ' ' ASP . 58.1 mt -59.29 -43.65 90.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.179 175.65 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1865 ' ' ALA . . . . . 0.688 ' HB3' HG23 ' A' 1961 ' ' VAL . . . -59.4 -44.72 92.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.842 -178.675 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1866 ' ' VAL . . . . . 0.495 ' HA ' ' HG2' ' A' 1869 ' ' GLN . 10.4 p -74.51 -27.09 20.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 C-N-CA 120.599 -0.44 . . . . 0.0 110.487 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1867 ' ' THR . . . . . 0.629 ' O ' ' HG3' ' A' 1871 ' ' MET . 68.3 m -67.22 -56.87 8.07 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 110.132 -0.321 . . . . 0.0 110.132 173.763 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1868 ' ' VAL . . . . . 0.564 ' HA ' ' SD ' ' A' 1871 ' ' MET . 32.5 m -62.79 -34.39 65.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.685 -175.537 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1869 ' ' GLN . . . . . 0.507 ' O ' HG22 ' A' 1872 ' ' VAL . 1.5 pt20 -72.67 -32.56 65.92 Favored 'General case' 0 N--CA 1.452 -0.372 0 C-N-CA 120.714 -0.394 . . . . 0.0 110.46 -177.907 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1870 ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -70.82 -29.33 65.46 Favored 'General case' 0 C--O 1.217 -0.611 0 C-N-CA 120.817 -0.353 . . . . 0.0 110.428 175.524 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1871 ' ' MET . . . . . 0.629 ' HG3' ' O ' ' A' 1867 ' ' THR . 59.3 mtp -61.45 -42.57 98.96 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.628 0.252 . . . . 0.0 110.364 179.61 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1872 ' ' VAL . . . . . 0.988 ' HB ' HG13 ' A' 1951 ' ' ILE . 1.1 m -72.51 -29.17 30.08 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.383 0 CA-C-O 121.672 0.749 . . . . 0.0 110.273 178.813 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1873 ' ' THR . . . . . . . . . . . . . 91.0 m -79.22 -37.39 38.25 Favored 'General case' 0 C--N 1.315 -0.929 0 CA-C-N 114.642 -1.163 . . . . 0.0 110.797 -177.439 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1874 ' ' LYS . . . . . . . . . . . . . 73.2 mmtt -74.35 -41.32 61.25 Favored 'General case' 0 C--O 1.217 -0.647 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.897 179.245 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1875 ' ' SER . . . . . . . . . . . . . 33.0 p -53.51 -19.81 4.14 Favored 'General case' 0 N--CA 1.465 0.318 0 N-CA-C 112.899 0.703 . . . . 0.0 112.899 -173.359 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1876 ' ' ASN . . . . . . . . . . . . . 91.2 m-20 -72.95 -40.85 65.03 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 111.774 0.287 . . . . 0.0 111.774 -178.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1877 ' ' THR . . . . . . . . . . . . . 34.3 p -122.4 -16.53 7.32 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 112.209 0.448 . . . . 0.0 112.209 -177.378 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1878 ' ' SER . . . . . . . . . . . . . 52.5 m -135.49 100.8 11.19 Favored Pre-proline 0 C--N 1.319 -0.747 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.566 -175.001 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1879 ' ' PRO . . . . . 0.816 ' HA ' HD12 ' A' 1882 ' ' LEU . 36.4 Cg_endo -91.15 2.94 4.51 Favored 'Trans proline' 0 N--CA 1.445 -1.355 0 C-N-CA 121.604 1.536 . . . . 0.0 110.905 171.515 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1880 ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -85.68 -38.72 18.03 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 114.771 -1.104 . . . . 0.0 110.995 178.837 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1881 ' ' GLU . . . . . . . . . . . . . 22.6 mm-40 -66.46 -14.91 62.88 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-O 121.317 0.58 . . . . 0.0 111.029 -179.48 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1882 ' ' LEU . . . . . 0.816 HD12 ' HA ' ' A' 1879 ' ' PRO . 4.9 mt -79.11 -3.1 43.77 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 115.458 -0.792 . . . . 0.0 111.52 -176.165 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1883 ' ' GLY . . . . . . . . . . . . . . . -76.31 -61.36 2.82 Favored Glycine 0 N--CA 1.447 -0.611 0 C-N-CA 120.454 -0.879 . . . . 0.0 111.333 170.378 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1884 ' ' PRO . . . . . . . . . . . . . 41.9 Cg_exo -58.85 -44.37 36.41 Favored 'Trans proline' 0 C--N 1.348 0.53 0 C-N-CA 122.775 2.317 . . . . 0.0 112.57 175.512 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1885 ' ' LEU . . . . . 0.402 ' HB3' ' HG2' ' A' 1871 ' ' MET . 66.2 mt -59.5 -33.77 71.77 Favored 'General case' 0 N--CA 1.464 0.231 0 N-CA-C 112.122 0.416 . . . . 0.0 112.122 -176.583 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1886 ' ' ALA . . . . . . . . . . . . . . . -69.1 -47.16 65.91 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.974 0.416 . . . . 0.0 110.712 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1887 ' ' ASN . . . . . . . . . . . . . 93.5 m-20 -68.78 -27.61 66.04 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.171 0.51 . . . . 0.0 110.004 177.587 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1888 ' ' GLN . . . . . . . . . . . . . 52.5 tp60 -64.9 -54.96 22.57 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.374 -0.83 . . . . 0.0 110.019 175.648 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1889 ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -52.4 -46.05 66.14 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.443 0.639 . . . . 0.0 109.633 177.372 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1890 ' ' THR . . . . . . . . . . . . . 45.3 m -57.57 -45.03 85.69 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.228 -0.896 . . . . 0.0 111.11 179.515 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1891 ' ' SER . . . . . . . . . . . . . 40.9 m -69.83 -39.27 76.55 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.964 -178.775 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1892 ' ' ASP . . . . . 0.621 ' HB3' HG12 ' A' 1864 ' ' ILE . 57.9 m-20 -60.48 -48.64 80.89 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.604 177.741 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1893 ' ' TYR . . . . . . . . . . . . . 75.4 t80 -59.49 -36.88 76.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.852 178.343 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1894 ' ' GLY . . . . . . . . . . . . . . . -59.07 -34.81 81.05 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.988 -0.625 . . . . 0.0 112.478 179.098 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1895 ' ' ARG . . . . . . . . . . . . . 23.6 ttt180 -78.55 -35.86 45.43 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.107 0.48 . . . . 0.0 110.421 178.117 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1896 ' ' LEU . . . . . 0.649 HD13 HG12 ' A' 1964 ' ' VAL . 63.7 tp -68.15 -50.25 55.78 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.35 -179.24 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1897 ' ' ALA . . . . . . . . . . . . . . . -64.76 -24.46 67.56 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.902 -0.59 . . . . 0.0 112.07 -175.26 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1898 ' ' SER . . . . . . . . . . . . . 4.1 p -81.22 -44.1 18.29 Favored 'General case' 0 C--N 1.324 -0.519 0 C-N-CA 120.891 -0.324 . . . . 0.0 110.631 -177.854 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1899 ' ' GLN . . . . . . . . . . . . . 13.9 mm100 -65.57 -18.08 65.06 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.296 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1900 ' ' ALA . . . . . 0.578 ' HA ' ' HE1' ' A' 1857 ' ' MET . . . -63.1 -28.48 70.1 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.324 178.701 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1901 ' ' LYS . . . . . 0.687 ' HB3' ' HD3' ' A' 1902 ' ' PRO . 0.5 OUTLIER -75.2 -56.96 1.82 Allowed Pre-proline 0 CA--C 1.54 0.563 0 C-N-CA 120.839 -0.344 . . . . 0.0 111.143 -177.365 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A 1902 ' ' PRO . . . . . 0.687 ' HD3' ' HB3' ' A' 1901 ' ' LYS . 38.8 Cg_exo -61.49 -27.43 82.18 Favored 'Trans proline' 0 C--N 1.357 1.021 0 C-N-CA 121.994 1.796 . . . . 0.0 112.346 178.848 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1903 ' ' ALA . . . . . . . . . . . . . . . -73.42 -33.46 64.96 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.927 0.394 . . . . 0.0 110.692 177.814 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1904 ' ' ALA . . . . . . . . . . . . . . . -75.97 -31.58 59.09 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.858 -177.484 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1905 ' ' VAL . . . . . . . . . . . . . 17.1 m -80.51 -21.03 11.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.822 179.642 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1906 ' ' ALA . . . . . . . . . . . . . . . -96.97 11.01 37.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.189 0.519 . . . . 0.0 110.381 177.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1907 ' ' ALA . . . . . 0.414 ' HB2' ' HB ' ' A' 1912 ' ' ILE . . . -92.46 118.28 30.8 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.758 -179.38 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1908 ' ' GLU . . . . . . . . . . . . . 22.6 mm-40 -67.25 -49.31 64.89 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.815 -179.114 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1909 ' ' ASN . . . . . 0.677 ' HB2' HG13 ' A' 1912 ' ' ILE . 3.2 m-20 -88.31 149.29 23.86 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.458 -176.74 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1910 ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -49.89 -54.18 21.25 Favored 'General case' 0 CA--C 1.516 -0.329 0 O-C-N 123.885 0.741 . . . . 0.0 111.059 -179.781 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1911 ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -70.65 -30.81 67.54 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-N 114.543 -1.208 . . . . 0.0 112.161 -170.06 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1912 ' ' ILE . . . . . 0.677 HG13 ' HB2' ' A' 1909 ' ' ASN . 53.6 mt -56.48 -53.91 34.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 C-N-CA 120.55 -0.46 . . . . 0.0 110.041 -179.702 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1913 ' ' GLY . . . . . . . . . . . . . . . -75.04 -26.27 67.0 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.609 -0.805 . . . . 0.0 112.265 -179.259 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1914 ' ' ALA . . . . . . . . . . . . . . . -72.33 -42.75 65.03 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.78 0.324 . . . . 0.0 110.571 -178.615 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1915 ' ' HIS . . . . . 0.604 ' O ' ' HG2' ' A' 1919 ' ' ARG . 74.6 m-70 -67.02 -40.13 87.18 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.903 -178.531 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1916 ' ' ILE . . . . . 0.553 HG13 ' O ' ' A' 1912 ' ' ILE . 99.1 mt -51.7 -55.29 9.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 O-C-N 123.543 0.527 . . . . 0.0 110.979 178.846 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1917 ' ' LYS . . . . . . . . . . . . . 52.1 mtmt -71.27 -35.4 71.35 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.02 -178.302 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1918 ' ' HIS . . . . . . . . . . . . . 48.0 t-80 -63.37 -38.43 91.13 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.186 -178.442 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1919 ' ' ARG . . . . . 0.604 ' HG2' ' O ' ' A' 1915 ' ' HIS . 31.1 mmt180 -73.69 -47.16 41.71 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.495 -0.32 . . . . 0.0 111.216 -177.054 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1920 ' ' VAL . . . . . 0.405 ' HA ' ' HB2' ' A' 1923 ' ' LEU . 30.0 m -66.42 -26.93 38.89 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-O 120.915 0.388 . . . . 0.0 110.897 -179.03 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1921 ' ' GLN . . . . . . . . . . . . . 24.9 tm0? -62.44 -39.29 92.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.341 177.701 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1922 ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -79.23 -30.37 43.17 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.131 0.491 . . . . 0.0 110.094 179.258 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1923 ' ' LEU . . . . . 0.525 ' HG ' ' HB3' ' A' 1960 ' ' LYS . 4.3 mt -65.13 -34.7 79.01 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.063 178.219 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1924 ' ' GLY . . . . . . . . . . . . . . . -55.22 -41.71 79.86 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 121.111 -0.566 . . . . 0.0 112.354 178.582 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1925 ' ' HIS . . . . . . . . . . . . . 24.0 m170 -66.59 -44.58 81.79 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.919 -0.4 . . . . 0.0 109.919 179.059 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1926 ' ' GLY . . . . . . . . . . . . . . . -64.8 -43.8 95.66 Favored Glycine 0 N--CA 1.449 -0.47 0 CA-C-N 115.657 -0.701 . . . . 0.0 112.355 -178.439 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1927 ' ' CYS . . . . . . . . . . . . . 62.8 m -61.71 -49.56 75.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.821 0.344 . . . . 0.0 110.313 178.519 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1928 ' ' SER . . . . . . . . . . . . . 41.3 t -61.38 -39.1 89.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.99 -179.443 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1929 ' ' ALA . . . . . 0.462 ' O ' ' HG2' ' A' 1933 ' ' LYS . . . -69.05 -46.03 68.9 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.497 -0.319 . . . . 0.0 110.892 179.071 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1930 ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -62.58 -47.52 83.46 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.988 -176.646 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1931 ' ' VAL . . . . . . . . . . . . . 24.4 m -63.22 -27.95 44.09 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.203 0 CA-C-O 120.888 0.375 . . . . 0.0 110.94 -178.247 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1932 ' ' THR . . . . . . . . . . . . . 44.3 m -74.77 -41.19 60.51 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.18 176.519 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1933 ' ' LYS . . . . . 0.462 ' HG2' ' O ' ' A' 1929 ' ' ALA . 74.6 mmtt -65.53 -37.48 86.85 Favored 'General case' 0 C--N 1.333 -0.132 0 CA-C-O 120.989 0.423 . . . . 0.0 110.289 177.071 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1934 ' ' ALA . . . . . . . . . . . . . . . -61.79 -42.65 99.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.594 177.005 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1935 ' ' GLY . . . . . . . . . . . . . . . -67.47 -41.43 90.55 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.009 177.372 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1936 ' ' ALA . . . . . . . . . . . . . . . -61.39 -46.78 88.73 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.44 0.162 . . . . 0.0 111.286 179.031 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1937 ' ' LEU . . . . . 0.436 ' HB2' HG21 ' A' 1946 ' ' THR . 21.7 tp -69.72 -29.73 67.19 Favored 'General case' 0 CA--C 1.517 -0.295 0 CA-C-O 121.105 0.478 . . . . 0.0 110.561 179.247 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1938 ' ' GLN . . . . . 0.417 ' HG3' ' O ' ' A' 1879 ' ' PRO . 7.9 tt0 -66.79 -29.21 69.1 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-O 121.323 0.582 . . . . 0.0 110.008 -179.865 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1939 ' ' CYS . . . . . . . . . . . . . 57.9 m -86.62 -36.71 18.66 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.588 176.432 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1940 ' ' SER . . . . . . . . . . . . . 20.2 m -118.89 78.66 16.34 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.547 -0.297 . . . . 0.0 110.637 178.513 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1941 ' ' PRO . . . . . 0.494 ' HB3' ' HG3' ' A' 1879 ' ' PRO . 11.0 Cg_exo -73.0 -17.61 24.87 Favored 'Trans proline' 0 C--N 1.344 0.32 0 C-N-CA 122.961 2.44 . . . . 0.0 112.67 -174.292 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1942 ' ' SER . . . . . . . . . . . . . 18.6 m -90.42 -2.7 57.96 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.149 -177.668 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1943 ' ' ASP . . . . . . . . . . . . . 12.2 t70 -90.91 111.36 22.75 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.983 0.42 . . . . 0.0 110.036 -178.527 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1944 ' ' VAL . . . . . . . . . . . . . 9.9 p -74.17 -26.77 21.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.811 -177.072 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1945 ' ' TYR . . . . . . . . . . . . . 90.4 m-85 -69.31 -43.48 73.69 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.514 -0.312 . . . . 0.0 110.707 -177.433 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1946 ' ' THR . . . . . 0.436 HG21 ' HB2' ' A' 1937 ' ' LEU . 65.5 m -58.2 -40.63 82.06 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.338 174.506 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1947 ' ' LYS . . . . . . . . . . . . . 22.7 ttpt -66.45 -42.64 87.29 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.303 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1948 ' ' LYS . . . . . 0.475 ' HE2' ' HA ' ' A' 1948 ' ' LYS . 9.3 mmpt? -51.42 -48.23 62.72 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.645 178.576 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1949 ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -60.06 -38.94 84.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.214 -178.511 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1950 ' ' LEU . . . . . 0.533 HD12 HD21 ' A' 1882 ' ' LEU . 7.8 tt -64.84 -50.47 66.53 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.429 -178.383 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1951 ' ' ILE . . . . . 0.988 HG13 ' HB ' ' A' 1872 ' ' VAL . 1.9 mp -60.63 -43.19 94.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-O 120.893 0.378 . . . . 0.0 110.02 177.384 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1952 ' ' GLU . . . . . 0.508 ' O ' ' HG3' ' A' 1956 ' ' ARG . 6.5 mm-40 -64.77 -29.45 70.42 Favored 'General case' 0 CA--C 1.517 -0.32 0 CA-C-N 115.749 -0.659 . . . . 0.0 111.16 -178.747 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1953 ' ' CYS . . . . . 0.403 ' O ' HG13 ' A' 1957 ' ' VAL . 57.1 m -76.19 -51.26 12.48 Favored 'General case' 0 C--N 1.316 -0.89 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.471 179.093 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1954 ' ' ALA . . . . . 0.538 ' HA ' HG22 ' A' 1957 ' ' VAL . . . -62.26 -37.67 86.34 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 111.857 0.317 . . . . 0.0 111.857 -175.331 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1955 ' ' ARG . . . . . . . . . . . . . 7.1 ppt_? -66.49 -25.07 66.53 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.809 0.338 . . . . 0.0 110.803 179.69 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1956 ' ' ARG . . . . . 0.508 ' HG3' ' O ' ' A' 1952 ' ' GLU . 47.2 mtm105 -82.53 -43.67 16.85 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.885 176.718 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1957 ' ' VAL . . . . . 0.621 ' O ' HG12 ' A' 1961 ' ' VAL . 12.6 m -68.51 -29.26 43.37 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.168 0 C-N-CA 120.928 -0.309 . . . . 0.0 111.294 -176.18 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1958 ' ' SER . . . . . 0.618 ' O ' HG22 ' A' 1961 ' ' VAL . 36.7 t -64.24 -24.48 67.68 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-O 120.986 0.422 . . . . 0.0 110.216 177.243 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1959 ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -75.32 -39.3 59.65 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 109.95 -0.389 . . . . 0.0 109.95 173.46 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1960 ' ' LYS . . . . . 0.525 ' HB3' ' HG ' ' A' 1923 ' ' LEU . 71.0 mmtt -61.62 -41.7 97.84 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.127 -0.488 . . . . 0.0 109.907 178.712 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1961 ' ' VAL . . . . . 0.688 HG23 ' HB3' ' A' 1865 ' ' ALA . 3.2 m -65.89 -34.08 67.89 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.345 178.718 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1962 ' ' SER . . . . . 0.469 ' HA ' HD12 ' A' 1965 ' ' LEU . 53.9 m -67.61 -24.97 65.54 Favored 'General case' 0 N--CA 1.454 -0.272 0 CA-C-O 121.268 0.556 . . . . 0.0 110.109 177.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1963 ' ' HIS . . . . . . . . . . . . . 63.8 m170 -80.03 -27.98 39.38 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.36 179.726 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1964 ' ' VAL . . . . . 0.649 HG12 HD13 ' A' 1896 ' ' LEU . 92.5 t -64.81 -47.59 87.91 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.344 0 N-CA-C 108.583 -0.895 . . . . 0.0 108.583 172.618 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1965 ' ' LEU . . . . . 0.571 ' HG ' ' O ' ' A' 1961 ' ' VAL . 20.7 mt -52.58 -52.83 53.27 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.109 -0.95 . . . . 0.0 109.865 176.689 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1966 ' ' ALA . . . . . . . . . . . . . . . -62.68 -44.35 96.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.763 -0.653 . . . . 0.0 112.069 -178.214 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1967 ' ' ALA . . . . . . . . . . . . . . . -58.5 -46.64 86.28 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-O 120.854 0.359 . . . . 0.0 111.084 179.703 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1968 ' ' LEU . . . . . 0.815 ' HB3' ' HG3' ' A' 1854 ' ' GLN . 4.3 mm? -70.03 -30.09 67.29 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.835 179.189 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1969 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.464 0.263 0 CA-C-O 120.671 0.272 . . . . 0.0 111.252 -179.331 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1850 ' ' PHE . . . . . . . . . . . . . 94.2 t80 . . . . . 0 N--CA 1.463 0.203 0 CA-C-O 120.924 0.392 . . . . 0.0 111.034 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A 1851 ' ' VAL . . . . . . . . . . . . . 20.9 m -52.17 -33.73 17.11 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.322 0 CA-C-N 115.791 -0.641 . . . . 0.0 112.073 178.229 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1852 ' ' ASP . . . . . . . . . . . . . 13.8 t70 -76.1 -45.61 33.07 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-O 121.099 0.476 . . . . 0.0 110.576 -178.275 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1853 ' ' TYR . . . . . 0.662 ' O ' ' HG2' ' A' 1857 ' ' MET . 52.2 m-85 -69.43 -34.05 73.88 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.602 -177.47 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1854 ' ' GLN . . . . . 0.65 ' HG3' ' HB3' ' A' 1968 ' ' LEU . 31.0 tt0 -58.57 -60.08 4.38 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.823 178.009 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1855 ' ' THR . . . . . . . . . . . . . 23.9 m -63.71 -30.38 71.49 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.795 -0.639 . . . . 0.0 112.471 -173.037 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1856 ' ' THR . . . . . 0.531 HG21 ' N ' ' A' 1857 ' ' MET . 15.1 t -69.92 -50.08 45.61 Favored 'General case' 0 C--N 1.325 -0.485 0 C-N-CA 120.341 -0.543 . . . . 0.0 111.395 -176.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1857 ' ' MET . . . . . 0.673 ' HG3' HD12 ' A' 1968 ' ' LEU . 9.6 ptm -82.1 -16.89 48.4 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 112.258 0.466 . . . . 0.0 112.258 -173.205 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1858 ' ' VAL . . . . . . . . . . . . . 30.6 m -68.72 -40.49 81.63 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.187 0 C-N-CA 119.476 -0.889 . . . . 0.0 108.724 173.626 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1859 ' ' ARG . . . . . 0.539 HH21 ' HD3' ' A' 1862 ' ' LYS . 4.5 mmp_? -64.49 -38.32 90.62 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.683 -0.69 . . . . 0.0 109.867 176.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1860 ' ' THR . . . . . . . . . . . . . 19.4 m -64.74 -45.1 87.91 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.801 177.57 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1861 ' ' ALA . . . . . . . . . . . . . . . -62.04 -40.04 94.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.017 0.437 . . . . 0.0 110.571 177.594 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1862 ' ' LYS . . . . . 0.539 ' HD3' HH21 ' A' 1859 ' ' ARG . 44.9 mttm -64.85 -35.87 82.51 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.511 176.721 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1863 ' ' ALA . . . . . . . . . . . . . . . -69.17 -38.73 78.88 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.424 178.396 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1864 ' ' ILE . . . . . . . . . . . . . 71.4 mt -64.26 -43.82 97.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 116.249 -0.432 . . . . 0.0 109.971 174.213 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1865 ' ' ALA . . . . . 0.731 ' HB1' HG22 ' A' 1961 ' ' VAL . . . -58.55 -45.81 88.15 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.62 179.74 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1866 ' ' VAL . . . . . 0.534 ' O ' ' HG3' ' A' 1870 ' ' GLU . 14.7 p -70.26 -34.7 59.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 C-N-CA 120.369 -0.532 . . . . 0.0 110.451 179.666 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1867 ' ' THR . . . . . 0.634 ' O ' ' HG3' ' A' 1871 ' ' MET . 99.6 m -63.71 -52.7 59.38 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.58 0.229 . . . . 0.0 110.839 177.271 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1868 ' ' VAL . . . . . 0.492 ' HA ' ' SD ' ' A' 1871 ' ' MET . 34.1 m -62.52 -35.03 68.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.6 -0.273 . . . . 0.0 110.817 -177.462 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1869 ' ' GLN . . . . . 0.578 ' O ' HG22 ' A' 1872 ' ' VAL . 2.0 pt20 -74.4 -26.58 60.18 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 120.767 -0.373 . . . . 0.0 110.166 -179.488 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1870 ' ' GLU . . . . . 0.534 ' HG3' ' O ' ' A' 1866 ' ' VAL . 46.0 mt-10 -68.36 -37.2 80.23 Favored 'General case' 0 C--O 1.223 -0.337 0 N-CA-C 109.775 -0.454 . . . . 0.0 109.775 172.755 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1871 ' ' MET . . . . . 0.634 ' HG3' ' O ' ' A' 1867 ' ' THR . 41.7 mtp -60.87 -39.38 88.98 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.778 -178.36 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1872 ' ' VAL . . . . . 0.942 ' HB ' HG13 ' A' 1951 ' ' ILE . 1.9 m -73.17 -28.63 26.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 121.43 0.633 . . . . 0.0 110.597 179.162 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1873 ' ' THR . . . . . . . . . . . . . 28.5 m -80.93 -51.53 8.45 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-N 115.167 -0.924 . . . . 0.0 111.445 -178.116 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1874 ' ' LYS . . . . . 0.501 ' HG3' HD12 ' A' 1885 ' ' LEU . 74.0 mmtt -63.42 -36.14 82.73 Favored 'General case' 0 C--O 1.222 -0.378 0 CA-C-N 115.647 -0.706 . . . . 0.0 111.568 -176.262 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1875 ' ' SER . . . . . 0.613 ' HB3' HD13 ' A' 1882 ' ' LEU . 5.5 p -56.42 -16.72 6.23 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 113.273 0.842 . . . . 0.0 113.273 -173.144 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1876 ' ' ASN . . . . . . . . . . . . . 58.3 m-80 -75.18 -38.01 61.01 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.622 0.249 . . . . 0.0 111.484 -179.188 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1877 ' ' THR . . . . . . . . . . . . . 46.1 p -117.14 -30.21 5.71 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.261 0.553 . . . . 0.0 111.473 -177.655 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1878 ' ' SER . . . . . . . . . . . . . 70.3 m -125.31 94.0 44.06 Favored Pre-proline 0 C--N 1.319 -0.731 0 CA-C-N 115.663 -0.699 . . . . 0.0 111.613 -174.753 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1879 ' ' PRO . . . . . 0.8 ' HA ' HD12 ' A' 1882 ' ' LEU . 38.0 Cg_endo -86.21 -16.53 4.07 Favored 'Trans proline' 0 N--CA 1.444 -1.387 0 C-N-CA 121.213 1.275 . . . . 0.0 111.435 171.135 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1880 ' ' GLU . . . . . 0.507 ' OE1' ' HD2' ' A' 1879 ' ' PRO . 37.9 mp0 -73.57 -31.93 63.88 Favored 'General case' 0 C--O 1.231 0.081 0 CA-C-O 121.205 0.526 . . . . 0.0 109.837 175.348 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1881 ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -69.76 -14.37 62.74 Favored 'General case' 0 N--CA 1.445 -0.703 0 CA-C-O 121.784 0.802 . . . . 0.0 110.497 -177.588 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1882 ' ' LEU . . . . . 0.8 HD12 ' HA ' ' A' 1879 ' ' PRO . 0.7 OUTLIER -77.76 -6.43 54.01 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.327 -0.851 . . . . 0.0 112.296 -175.78 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A 1883 ' ' GLY . . . . . . . . . . . . . . . -71.62 -61.08 3.99 Favored Glycine 0 N--CA 1.447 -0.589 0 C-N-CA 120.264 -0.969 . . . . 0.0 111.362 173.571 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1884 ' ' PRO . . . . . 0.434 ' HA ' ' OD1' ' A' 1887 ' ' ASN . 37.4 Cg_endo -67.78 -10.13 27.79 Favored 'Trans proline' 0 C--N 1.347 0.496 0 C-N-CA 122.734 2.29 . . . . 0.0 112.875 176.44 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1885 ' ' LEU . . . . . 0.501 HD12 ' HG3' ' A' 1874 ' ' LYS . 36.6 mt -82.21 -36.64 27.04 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.994 0.426 . . . . 0.0 110.58 171.266 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1886 ' ' ALA . . . . . . . . . . . . . . . -71.38 -45.97 61.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.252 -178.466 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1887 ' ' ASN . . . . . 0.434 ' OD1' ' HA ' ' A' 1884 ' ' PRO . 18.3 p-10 -67.99 -26.95 66.16 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.136 0.493 . . . . 0.0 109.729 178.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1888 ' ' GLN . . . . . 0.459 ' HG3' HG22 ' A' 1867 ' ' THR . 25.9 tp60 -69.47 -48.7 59.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.611 177.799 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1889 ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -56.04 -49.35 73.98 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 108.985 -0.746 . . . . 0.0 108.985 175.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1890 ' ' THR . . . . . . . . . . . . . 32.6 m -57.34 -45.37 84.39 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.057 -0.974 . . . . 0.0 111.242 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1891 ' ' SER . . . . . . . . . . . . . 28.8 t -64.7 -46.68 81.31 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.01 -178.757 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1892 ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -67.54 -39.82 85.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.926 -177.336 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1893 ' ' TYR . . . . . . . . . . . . . 43.1 t80 -60.53 -44.18 96.37 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.538 -0.301 . . . . 0.0 110.916 178.215 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1894 ' ' GLY . . . . . . . . . . . . . . . -55.01 -42.01 79.4 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.738 -0.744 . . . . 0.0 111.645 178.586 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1895 ' ' ARG . . . . . . . . . . . . . 37.1 ttp180 -64.05 -47.61 79.51 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.492 -0.354 . . . . 0.0 110.539 177.489 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1896 ' ' LEU . . . . . 0.444 HD11 HG12 ' A' 1964 ' ' VAL . 51.4 tp -57.42 -47.19 82.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.921 177.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1897 ' ' ALA . . . . . . . . . . . . . . . -63.29 -24.42 67.85 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.311 -179.425 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1898 ' ' SER . . . . . . . . . . . . . 48.4 m -80.03 -23.82 41.18 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.124 -178.013 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1899 ' ' GLN . . . . . 0.434 ' O ' ' HD2' ' A' 1902 ' ' PRO . 14.7 mm100 -84.12 -21.38 31.43 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.576 179.824 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1900 ' ' ALA . . . . . . . . . . . . . . . -64.59 -33.96 77.15 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.609 -179.809 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1901 ' ' LYS . . . . . 0.681 ' HB3' ' HD3' ' A' 1902 ' ' PRO . 58.8 tptt -64.77 -57.53 16.1 Favored Pre-proline 0 CA--C 1.542 0.666 0 CA-C-N 116.289 -0.414 . . . . 0.0 112.047 -176.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1902 ' ' PRO . . . . . 0.681 ' HD3' ' HB3' ' A' 1901 ' ' LYS . 6.8 Cg_exo -73.41 -24.18 16.7 Favored 'Trans proline' 0 C--N 1.354 0.861 0 C-N-CA 122.024 1.816 . . . . 0.0 112.5 -177.766 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1903 ' ' ALA . . . . . . . . . . . . . . . -72.51 -35.0 68.02 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.896 0.379 . . . . 0.0 111.025 -179.592 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1904 ' ' ALA . . . . . . . . . . . . . . . -72.33 -35.69 68.65 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.078 0.466 . . . . 0.0 110.56 -176.64 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1905 ' ' VAL . . . . . . . . . . . . . 26.4 m -84.18 -7.45 10.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.309 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1906 ' ' ALA . . . . . . . . . . . . . . . -100.38 -13.11 18.9 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.074 0.464 . . . . 0.0 110.593 177.32 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1907 ' ' ALA . . . . . . . . . . . . . . . -79.23 113.22 17.19 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.916 -0.583 . . . . 0.0 111.027 -179.045 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1908 ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -65.41 -21.14 66.63 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.198 176.77 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1909 ' ' ASN . . . . . . . . . . . . . 27.6 t-20 -93.98 143.43 26.36 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.866 -177.319 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1910 ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -61.83 -53.78 51.24 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.452 179.423 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1911 ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 -63.28 -44.96 93.58 Favored 'General case' 0 N--CA 1.447 -0.581 0 CA-C-N 115.646 -0.707 . . . . 0.0 111.958 -172.56 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1912 ' ' ILE . . . . . 0.591 ' O ' HG13 ' A' 1916 ' ' ILE . 60.2 mt -52.25 -54.45 14.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 123.081 0.238 . . . . 0.0 110.75 -177.888 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1913 ' ' GLY . . . . . . . . . . . . . . . -65.43 -32.33 83.16 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.374 -179.834 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1914 ' ' ALA . . . . . . . . . . . . . . . -74.78 -37.3 62.44 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.85 0.357 . . . . 0.0 111.072 -177.276 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1915 ' ' HIS . . . . . 0.543 ' O ' ' HG2' ' A' 1919 ' ' ARG . 87.2 m-70 -76.74 -38.57 53.98 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.309 -177.781 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1916 ' ' ILE . . . . . 0.591 HG13 ' O ' ' A' 1912 ' ' ILE . 97.5 mt -53.04 -58.14 3.4 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.287 0 CA-C-O 120.932 0.396 . . . . 0.0 110.863 179.331 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1917 ' ' LYS . . . . . . . . . . . . . 53.1 mtmt -67.48 -24.85 65.64 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.361 -178.406 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1918 ' ' HIS . . . . . . . . . . . . . 41.9 t-80 -72.09 -46.79 55.42 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.256 179.536 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1919 ' ' ARG . . . . . 0.543 ' HG2' ' O ' ' A' 1915 ' ' HIS . 27.5 mmt180 -71.83 -39.22 69.92 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.655 -174.267 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1920 ' ' VAL . . . . . . . . . . . . . 34.9 m -64.75 -30.0 49.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 C-N-CA 120.742 -0.383 . . . . 0.0 110.395 178.561 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1921 ' ' GLN . . . . . . . . . . . . . 49.1 tt0 -64.75 -45.37 86.7 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.213 0.53 . . . . 0.0 110.12 175.022 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1922 ' ' GLU . . . . . 0.498 ' HB3' ' HD2' ' A' 1960 ' ' LYS . 33.6 mt-10 -66.25 -33.42 75.7 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.379 -0.828 . . . . 0.0 110.893 179.515 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1923 ' ' LEU . . . . . . . . . . . . . 43.5 mt -72.11 -32.72 67.23 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.231 177.727 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1924 ' ' GLY . . . . . . . . . . . . . . . -61.18 -47.1 92.81 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.962 -0.637 . . . . 0.0 112.633 -178.789 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1925 ' ' HIS . . . . . . . . . . . . . 35.6 m80 -74.64 -23.87 58.74 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.996 0.427 . . . . 0.0 110.34 -178.751 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1926 ' ' GLY . . . . . . . . . . . . . . . -72.6 -42.27 48.13 Favored Glycine 0 N--CA 1.447 -0.631 0 C-N-CA 120.51 -0.852 . . . . 0.0 111.197 174.491 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1927 ' ' CYS . . . . . . . . . . . . . 44.4 t -61.43 -48.28 81.88 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.55 -0.325 . . . . 0.0 110.924 178.102 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1928 ' ' SER . . . . . . . . . . . . . 13.1 p -61.95 -39.8 93.34 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.824 0.345 . . . . 0.0 111.267 -178.06 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1929 ' ' ALA . . . . . . . . . . . . . . . -67.66 -44.51 77.69 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.914 0.388 . . . . 0.0 110.722 177.835 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1930 ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -63.27 -52.65 61.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.735 -177.625 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1931 ' ' VAL . . . . . . . . . . . . . 32.6 m -62.62 -27.81 43.61 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.211 0 CA-C-O 120.735 0.302 . . . . 0.0 111.619 -175.873 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1932 ' ' THR . . . . . . . . . . . . . 97.3 m -67.77 -44.83 76.53 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-O 120.859 0.361 . . . . 0.0 110.466 176.48 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1933 ' ' LYS . . . . . 0.568 ' HZ2' ' CD ' ' A' 1949 ' ' GLU . 34.0 mmtp -75.73 -29.56 58.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.887 179.612 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1934 ' ' ALA . . . . . . . . . . . . . . . -59.46 -47.53 85.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.839 0.352 . . . . 0.0 110.1 174.47 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1935 ' ' GLY . . . . . . . . . . . . . . . -66.82 -33.31 83.75 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.849 -0.691 . . . . 0.0 111.922 176.605 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1936 ' ' ALA . . . . . . . . . . . . . . . -64.36 -52.93 55.84 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.549 0.214 . . . . 0.0 110.558 178.225 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1937 ' ' LEU . . . . . 0.557 ' HB2' HG21 ' A' 1946 ' ' THR . 35.4 tp -64.36 -31.47 72.69 Favored 'General case' 0 CA--C 1.514 -0.436 0 CA-C-O 121.067 0.461 . . . . 0.0 110.448 179.121 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1938 ' ' GLN . . . . . . . . . . . . . 25.8 tt0 -56.86 -38.87 73.33 Favored 'General case' 0 N--CA 1.447 -0.609 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.01 176.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1939 ' ' CYS . . . . . . . . . . . . . 23.6 t -87.24 -5.67 58.86 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.549 -0.75 . . . . 0.0 111.347 179.789 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1940 ' ' SER . . . . . . . . . . . . . 25.1 p -141.45 72.95 25.44 Favored Pre-proline 0 C--N 1.328 -0.368 0 CA-C-O 121.005 0.431 . . . . 0.0 111.698 -176.122 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1941 ' ' PRO . . . . . 0.706 ' HB3' ' HG3' ' A' 1879 ' ' PRO . 25.0 Cg_exo -64.8 -25.59 60.56 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.655 2.236 . . . . 0.0 112.717 -177.304 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1942 ' ' SER . . . . . . . . . . . . . 33.8 p -90.49 4.62 50.57 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.737 -176.363 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1943 ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -100.29 103.43 14.86 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.045 0.45 . . . . 0.0 111.08 179.497 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1944 ' ' VAL . . . . . 0.471 ' O ' ' HG2' ' A' 1948 ' ' LYS . 12.0 p -68.33 -32.31 55.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.524 179.428 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1945 ' ' TYR . . . . . 0.464 ' O ' ' HG3' ' A' 1949 ' ' GLU . 27.6 m-85 -59.24 -46.9 87.26 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.277 -177.886 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1946 ' ' THR . . . . . 0.557 HG21 ' HB2' ' A' 1937 ' ' LEU . 34.7 m -65.48 -31.9 73.23 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 114.815 -1.084 . . . . 0.0 110.897 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1947 ' ' LYS . . . . . 0.411 ' HG3' ' HB2' ' A' 1875 ' ' SER . 28.1 ttpt -71.76 -43.33 65.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.19 177.922 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1948 ' ' LYS . . . . . 0.513 ' HE2' ' HA ' ' A' 1948 ' ' LYS . 9.8 mmpt? -53.58 -51.06 64.2 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.575 -179.201 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1949 ' ' GLU . . . . . 0.568 ' CD ' ' HZ2' ' A' 1933 ' ' LYS . 38.7 mt-10 -55.38 -43.06 74.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.509 -0.769 . . . . 0.0 110.462 -178.74 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1950 ' ' LEU . . . . . 0.595 HD13 HD22 ' A' 1882 ' ' LEU . 7.4 tt -63.13 -47.37 83.04 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.778 -178.006 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1951 ' ' ILE . . . . . 0.942 HG13 ' HB ' ' A' 1872 ' ' VAL . 1.7 mp -58.33 -47.31 88.11 Favored 'Isoleucine or valine' 0 C--O 1.235 0.341 0 CA-C-O 120.978 0.418 . . . . 0.0 110.25 178.397 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1952 ' ' GLU . . . . . 0.442 ' HG2' ' O ' ' A' 1948 ' ' LYS . 72.0 mm-40 -65.55 -31.31 72.29 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.847 -179.804 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1953 ' ' CYS . . . . . 0.616 ' O ' ' HG2' ' A' 1956 ' ' ARG . 60.8 m -69.82 -39.64 76.39 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.733 179.568 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1954 ' ' ALA . . . . . 0.417 ' HB3' ' HB ' ' A' 1868 ' ' VAL . . . -70.95 -42.54 69.65 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.709 0.29 . . . . 0.0 111.543 -177.424 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1955 ' ' ARG . . . . . 0.439 ' O ' ' HG3' ' A' 1959 ' ' GLU . 2.7 ptp180 -69.82 -24.86 63.53 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.698 0.285 . . . . 0.0 111.534 -178.523 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1956 ' ' ARG . . . . . 0.616 ' HG2' ' O ' ' A' 1953 ' ' CYS . 10.0 ptm180 -81.47 -24.52 36.72 Favored 'General case' 0 C--N 1.324 -0.519 0 C-N-CA 120.413 -0.515 . . . . 0.0 110.453 -179.835 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1957 ' ' VAL . . . . . . . . . . . . . 16.4 m -89.2 -28.31 5.21 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.147 0 C-N-CA 120.665 -0.414 . . . . 0.0 111.019 176.206 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1958 ' ' SER . . . . . 0.574 ' O ' HG21 ' A' 1961 ' ' VAL . 11.9 p -62.6 -31.26 72.05 Favored 'General case' 0 C--O 1.231 0.096 0 CA-C-O 121.04 0.447 . . . . 0.0 110.584 178.385 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1959 ' ' GLU . . . . . 0.439 ' HG3' ' O ' ' A' 1955 ' ' ARG . 47.6 mt-10 -61.14 -42.42 98.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.639 0.733 . . . . 0.0 109.503 172.903 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1960 ' ' LYS . . . . . 0.498 ' HD2' ' HB3' ' A' 1922 ' ' GLU . 54.6 mtmt -77.0 -26.82 54.31 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.207 -0.906 . . . . 0.0 112.12 -172.341 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1961 ' ' VAL . . . . . 0.731 HG22 ' HB1' ' A' 1865 ' ' ALA . 4.3 m -68.79 -33.74 61.01 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.201 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 174.051 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1962 ' ' SER . . . . . 0.572 ' HA ' HD12 ' A' 1965 ' ' LEU . 19.2 t -70.67 -24.71 62.74 Favored 'General case' 0 N--CA 1.451 -0.383 0 CA-C-N 115.652 -0.703 . . . . 0.0 109.791 178.844 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1963 ' ' HIS . . . . . 0.418 ' ND1' ' HA ' ' A' 1960 ' ' LYS . 46.2 m170 -73.06 -28.47 62.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.107 178.714 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1964 ' ' VAL . . . . . 0.444 HG12 HD11 ' A' 1896 ' ' LEU . 89.2 t -66.99 -45.22 87.6 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.172 0 N-CA-C 108.906 -0.775 . . . . 0.0 108.906 172.314 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1965 ' ' LEU . . . . . 0.572 HD12 ' HA ' ' A' 1962 ' ' SER . 52.3 mt -53.95 -52.19 61.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.036 -0.984 . . . . 0.0 110.724 178.685 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1966 ' ' ALA . . . . . . . . . . . . . . . -61.71 -46.47 89.51 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.85 -0.614 . . . . 0.0 111.724 -178.069 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1967 ' ' ALA . . . . . . . . . . . . . . . -59.7 -42.57 93.33 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.022 0.439 . . . . 0.0 111.411 -177.561 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1968 ' ' LEU . . . . . 0.673 HD12 ' HG3' ' A' 1857 ' ' MET . 60.9 mt -69.04 -39.86 78.92 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.175 -178.043 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1969 ' ' GLN . . . . . . . . . . . . . 75.7 mt-30 . . . . . 0 C--N 1.326 -0.441 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.442 -176.843 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A 1850 ' ' PHE . . . . . 0.404 ' HA ' ' HD2' ' A' 1853 ' ' TYR . 77.1 t80 . . . . . 0 C--O 1.23 0.058 0 CA-C-O 121.256 0.55 . . . . 0.0 110.395 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1851 ' ' VAL . . . . . . . . . . . . . 18.8 m -59.1 -32.27 47.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 115.229 -0.896 . . . . 0.0 112.391 -177.77 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1852 ' ' ASP . . . . . . . . . . . . . 27.8 t70 -74.47 -47.59 32.48 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.763 0.316 . . . . 0.0 110.534 -177.667 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1853 ' ' TYR . . . . . 0.494 ' O ' ' HG2' ' A' 1857 ' ' MET . 27.3 m-85 -63.04 -44.38 96.03 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 109.185 -0.672 . . . . 0.0 109.185 177.695 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1854 ' ' GLN . . . . . 0.774 ' HG3' ' HB3' ' A' 1968 ' ' LEU . 24.4 tt0 -50.21 -59.97 3.43 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 115.2 -0.909 . . . . 0.0 110.66 175.757 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1855 ' ' THR . . . . . 0.758 ' O ' ' HG2' ' A' 1859 ' ' ARG . 27.7 m -58.73 -36.25 74.0 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.996 -178.46 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1856 ' ' THR . . . . . 0.416 HG22 ' N ' ' A' 1857 ' ' MET . 1.3 m -63.43 -58.2 7.81 Favored 'General case' 0 N--CA 1.441 -0.922 0 N-CA-C 112.24 0.459 . . . . 0.0 112.24 -178.284 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1857 ' ' MET . . . . . 0.494 ' HG2' ' O ' ' A' 1853 ' ' TYR . 6.1 ptm -77.13 -18.06 58.18 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 111.94 0.348 . . . . 0.0 111.94 -171.136 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1858 ' ' VAL . . . . . 0.509 ' O ' ' HG3' ' A' 1862 ' ' LYS . 26.3 m -72.25 -31.7 40.13 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.112 0 C-N-CA 119.657 -0.817 . . . . 0.0 109.662 171.697 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1859 ' ' ARG . . . . . 0.758 ' HG2' ' O ' ' A' 1855 ' ' THR . 17.5 mmt180 -70.96 -36.47 72.57 Favored 'General case' 0 CA--C 1.52 -0.188 0 N-CA-C 109.211 -0.662 . . . . 0.0 109.211 174.636 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1860 ' ' THR . . . . . 0.455 HG23 ' HB2' ' A' 1896 ' ' LEU . 9.9 m -61.5 -45.04 95.88 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.334 -0.848 . . . . 0.0 110.42 177.317 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1861 ' ' ALA . . . . . 0.428 ' HB3' ' HB ' ' A' 1961 ' ' VAL . . . -59.52 -40.88 88.6 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.761 178.087 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1862 ' ' LYS . . . . . 0.509 ' HG3' ' O ' ' A' 1858 ' ' VAL . 56.9 mttm -64.73 -43.12 94.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.497 177.669 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1863 ' ' ALA . . . . . . . . . . . . . . . -61.56 -41.87 98.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.47 178.672 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1864 ' ' ILE . . . . . 0.627 ' O ' HG13 ' A' 1868 ' ' VAL . 68.5 mt -63.91 -46.07 95.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.469 176.135 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1865 ' ' ALA . . . . . 0.764 ' HB3' HG21 ' A' 1961 ' ' VAL . . . -58.66 -41.0 85.09 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 112.179 0.437 . . . . 0.0 112.179 -177.735 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1866 ' ' VAL . . . . . . . . . . . . . 12.1 p -72.78 -32.68 41.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 C-N-CA 120.358 -0.537 . . . . 0.0 110.234 179.588 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1867 ' ' THR . . . . . 0.679 ' O ' ' HG3' ' A' 1871 ' ' MET . 86.0 m -63.28 -54.33 38.97 Favored 'General case' 0 C--N 1.332 -0.19 0 C-N-CA 121.31 -0.156 . . . . 0.0 110.733 177.118 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1868 ' ' VAL . . . . . 0.627 HG13 ' O ' ' A' 1864 ' ' ILE . 3.3 m -58.05 -32.65 44.47 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.221 0 CA-C-O 121.662 0.744 . . . . 0.0 110.39 -177.769 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1869 ' ' GLN . . . . . . . . . . . . . 6.9 tp-100 -78.21 -33.83 49.7 Favored 'General case' 0 N--CA 1.423 -1.786 0 CA-C-N 115.0 -1.0 . . . . 0.0 110.39 -178.024 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1870 ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 -65.22 -40.86 94.68 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 110.024 -0.361 . . . . 0.0 110.024 171.672 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1871 ' ' MET . . . . . 0.679 ' HG3' ' O ' ' A' 1867 ' ' THR . 52.3 mtp -58.02 -42.45 85.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.863 -178.889 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1872 ' ' VAL . . . . . 0.763 ' HB ' HG13 ' A' 1951 ' ' ILE . 15.5 m -77.14 -28.47 16.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.437 179.888 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1873 ' ' THR . . . . . . . . . . . . . 87.2 m -73.49 -44.85 56.92 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.045 0.45 . . . . 0.0 110.766 177.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1874 ' ' LYS . . . . . . . . . . . . . 69.7 mmtt -66.91 -38.35 86.05 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.679 -177.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1875 ' ' SER . . . . . 0.615 ' HB3' HD13 ' A' 1882 ' ' LEU . 4.4 p -62.73 -9.96 11.06 Favored 'General case' 0 CA--C 1.534 0.329 0 N-CA-C 113.153 0.797 . . . . 0.0 113.153 -172.32 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1876 ' ' ASN . . . . . . . . . . . . . 60.5 m-80 -69.79 -29.75 67.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.796 0.332 . . . . 0.0 110.54 177.732 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1877 ' ' THR . . . . . . . . . . . . . 25.1 p -133.28 -32.76 1.16 Allowed 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 112.391 0.515 . . . . 0.0 112.391 -177.11 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1878 ' ' SER . . . . . . . . . . . . . 54.8 m -124.02 109.25 29.77 Favored Pre-proline 0 C--N 1.325 -0.471 0 CA-C-O 120.785 0.326 . . . . 0.0 111.693 -170.716 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1879 ' ' PRO . . . . . 0.737 ' HA ' HD12 ' A' 1882 ' ' LEU . 34.0 Cg_endo -91.83 -14.35 1.55 Allowed 'Trans proline' 0 N--CA 1.443 -1.466 0 C-N-CA 122.183 1.922 . . . . 0.0 112.64 174.678 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1880 ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -77.03 -33.02 57.43 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.884 0.374 . . . . 0.0 110.468 177.36 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1881 ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -61.73 -15.37 40.15 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.842 177.105 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1882 ' ' LEU . . . . . 0.737 HD12 ' HA ' ' A' 1879 ' ' PRO . 0.6 OUTLIER -81.85 -7.51 59.61 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.309 -0.859 . . . . 0.0 112.018 -175.038 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A 1883 ' ' GLY . . . . . . . . . . . . . . . -71.7 -60.34 4.34 Favored Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 120.722 -0.752 . . . . 0.0 111.683 176.09 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1884 ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -55.67 -36.87 95.62 Favored 'Trans proline' 0 C--N 1.347 0.473 0 C-N-CA 122.612 2.208 . . . . 0.0 112.177 177.169 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1885 ' ' LEU . . . . . 0.47 ' HB3' ' HG2' ' A' 1871 ' ' MET . 94.8 mt -67.68 -42.57 81.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.636 -178.077 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1886 ' ' ALA . . . . . . . . . . . . . . . -62.22 -46.67 87.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.052 0.454 . . . . 0.0 110.185 177.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1887 ' ' ASN . . . . . . . . . . . . . 4.5 m-20 -62.2 -34.77 77.09 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.584 -0.734 . . . . 0.0 110.69 177.475 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1888 ' ' GLN . . . . . . . . . . . . . 17.8 tp60 -70.48 -48.95 53.31 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.841 -177.634 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1889 ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -56.98 -47.17 81.4 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.303 -0.629 . . . . 0.0 109.303 177.915 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1890 ' ' THR . . . . . . . . . . . . . 52.8 m -59.46 -43.29 93.22 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.106 -0.952 . . . . 0.0 111.13 179.212 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1891 ' ' SER . . . . . . . . . . . . . 32.6 t -65.39 -47.63 75.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.488 -0.324 . . . . 0.0 111.19 -178.516 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1892 ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -66.58 -36.21 82.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.594 -0.275 . . . . 0.0 111.179 -177.518 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1893 ' ' TYR . . . . . . . . . . . . . 36.4 t80 -59.29 -40.75 87.12 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.625 0.25 . . . . 0.0 110.744 177.011 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1894 ' ' GLY . . . . . . . . . . . . . . . -58.33 -37.04 86.24 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.789 -0.719 . . . . 0.0 111.729 178.219 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1895 ' ' ARG . . . . . . . . . . . . . 13.4 ttp180 -70.28 -46.72 63.76 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.922 0.391 . . . . 0.0 110.174 177.669 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1896 ' ' LEU . . . . . 0.455 ' HB2' HG23 ' A' 1860 ' ' THR . 47.5 tp -56.77 -50.66 71.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.696 -0.684 . . . . 0.0 111.504 179.603 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1897 ' ' ALA . . . . . . . . . . . . . . . -64.47 -24.22 67.54 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.82 -176.281 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1898 ' ' SER . . . . . . . . . . . . . 54.1 m -81.34 -41.81 21.48 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.794 0.33 . . . . 0.0 110.438 -175.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1899 ' ' GLN . . . . . 0.421 ' HA ' ' OE1' ' A' 1899 ' ' GLN . 16.9 mm-40 -69.21 -12.47 61.7 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.887 -179.561 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1900 ' ' ALA . . . . . 0.479 ' HA ' ' HE1' ' A' 1857 ' ' MET . . . -66.68 -27.21 67.47 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.219 177.842 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1901 ' ' LYS . . . . . 0.464 ' HB3' ' HD3' ' A' 1902 ' ' PRO . 1.7 tmtp? -75.58 -58.39 1.42 Allowed Pre-proline 0 CA--C 1.54 0.584 0 C-N-CA 120.818 -0.353 . . . . 0.0 111.029 -177.471 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1902 ' ' PRO . . . . . 0.464 ' HD3' ' HB3' ' A' 1901 ' ' LYS . 36.6 Cg_endo -66.07 -23.47 53.48 Favored 'Trans proline' 0 C--N 1.356 0.932 0 C-N-CA 122.043 1.829 . . . . 0.0 112.762 -178.658 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1903 ' ' ALA . . . . . . . . . . . . . . . -76.05 -31.84 59.01 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.975 0.417 . . . . 0.0 110.596 177.074 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1904 ' ' ALA . . . . . . . . . . . . . . . -71.77 -31.04 66.21 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.746 -176.348 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1905 ' ' VAL . . . . . . . . . . . . . 35.2 m -92.21 2.49 8.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 115.802 -0.635 . . . . 0.0 111.388 -178.57 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1906 ' ' ALA . . . . . . . . . . . . . . . -119.26 -2.41 10.67 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.847 178.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1907 ' ' ALA . . . . . . . . . . . . . . . -75.0 136.73 41.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.956 -178.378 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1908 ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -60.9 -26.05 67.17 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.904 -0.589 . . . . 0.0 112.382 -177.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1909 ' ' ASN . . . . . 0.499 ' OD1' ' HG3' ' A' 1911 ' ' GLU . 14.1 t-20 -137.14 151.5 48.9 Favored 'General case' 0 C--N 1.323 -0.549 0 C-N-CA 120.706 -0.398 . . . . 0.0 111.412 -172.855 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1910 ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -47.77 -53.82 14.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.241 -0.89 . . . . 0.0 111.035 173.316 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1911 ' ' GLU . . . . . 0.499 ' HG3' ' OD1' ' A' 1909 ' ' ASN . 28.4 mt-10 -54.82 -56.67 16.9 Favored 'General case' 0 CA--C 1.515 -0.377 0 CA-C-O 121.296 0.57 . . . . 0.0 111.098 -177.371 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1912 ' ' ILE . . . . . 0.483 HD13 ' CB ' ' A' 1909 ' ' ASN . 35.6 mt -53.2 -39.58 34.93 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.739 0 CA-C-N 114.575 -1.193 . . . . 0.0 111.282 -177.137 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1913 ' ' GLY . . . . . 0.404 ' HA2' HD13 ' A' 1916 ' ' ILE . . . -81.32 -29.97 38.84 Favored Glycine 0 N--CA 1.448 -0.52 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.767 179.04 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1914 ' ' ALA . . . . . . . . . . . . . . . -74.52 -38.92 62.67 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.68 0.276 . . . . 0.0 111.039 -177.28 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1915 ' ' HIS . . . . . 0.48 ' O ' ' HG2' ' A' 1919 ' ' ARG . 87.0 m-70 -62.39 -31.7 72.42 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.637 -179.161 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1916 ' ' ILE . . . . . 0.435 HG13 ' O ' ' A' 1912 ' ' ILE . 82.5 mt -56.06 -58.38 5.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.14 178.688 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1917 ' ' LYS . . . . . 0.408 ' HE2' ' HB2' ' A' 1917 ' ' LYS . 3.8 mppt? -65.1 -26.82 68.38 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-O 120.947 0.404 . . . . 0.0 111.326 -177.131 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1918 ' ' HIS . . . . . 0.4 ' O ' ' HG2' ' A' 1922 ' ' GLU . 0.2 OUTLIER -72.42 -41.41 66.23 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.752 0.31 . . . . 0.0 110.909 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A 1919 ' ' ARG . . . . . 0.48 ' HG2' ' O ' ' A' 1915 ' ' HIS . 23.5 mmt180 -81.5 -26.41 35.18 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 112.126 0.417 . . . . 0.0 112.126 -173.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1920 ' ' VAL . . . . . . . . . . . . . 34.9 m -72.42 -31.85 39.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 C-N-CA 120.227 -0.589 . . . . 0.0 110.184 175.602 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1921 ' ' GLN . . . . . . . . . . . . . 23.6 tp60 -67.03 -29.72 69.61 Favored 'General case' 0 C--O 1.236 0.373 0 CA-C-O 121.281 0.563 . . . . 0.0 109.939 176.142 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1922 ' ' GLU . . . . . 0.743 ' HB3' ' HD2' ' A' 1960 ' ' LYS . 11.6 mm-40 -59.95 -53.48 57.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.536 -0.757 . . . . 0.0 110.669 176.694 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1923 ' ' LEU . . . . . . . . . . . . . 49.0 mt -67.12 -24.0 65.88 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.754 178.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1924 ' ' GLY . . . . . . . . . . . . . . . -60.53 -40.54 97.92 Favored Glycine 0 N--CA 1.453 -0.209 0 C-N-CA 121.07 -0.585 . . . . 0.0 112.212 175.216 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1925 ' ' HIS . . . . . . . . . . . . . 39.4 m80 -76.11 -33.3 59.46 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.176 0.512 . . . . 0.0 109.936 177.588 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1926 ' ' GLY . . . . . . . . . . . . . . . -72.38 -52.7 9.96 Favored Glycine 0 N--CA 1.447 -0.627 0 CA-C-N 115.522 -0.763 . . . . 0.0 113.196 -176.735 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1927 ' ' CYS . . . . . . . . . . . . . 24.1 p -60.15 -44.66 94.79 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.861 0.331 . . . . 0.0 111.117 -176.467 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1928 ' ' SER . . . . . . . . . . . . . 40.4 t -58.37 -42.34 86.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.635 -179.719 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1929 ' ' ALA . . . . . . . . . . . . . . . -70.55 -43.77 68.85 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.915 0.388 . . . . 0.0 110.803 178.377 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1930 ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -63.34 -48.37 78.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.207 -177.022 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1931 ' ' VAL . . . . . . . . . . . . . 32.5 m -64.86 -28.86 45.78 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 CA-C-O 120.755 0.312 . . . . 0.0 110.949 -177.746 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1932 ' ' THR . . . . . . . . . . . . . 58.7 m -68.93 -40.84 78.78 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.192 176.178 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1933 ' ' LYS . . . . . 0.43 ' HA ' ' HD3' ' A' 1933 ' ' LYS . 72.5 mmtt -71.59 -35.66 70.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.339 178.324 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1934 ' ' ALA . . . . . . . . . . . . . . . -61.62 -48.33 81.36 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.381 175.309 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1935 ' ' GLY . . . . . . . . . . . . . . . -67.77 -32.63 78.32 Favored Glycine 0 N--CA 1.449 -0.47 0 C-N-CA 121.058 -0.592 . . . . 0.0 112.269 178.395 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1936 ' ' ALA . . . . . . . . . . . . . . . -67.79 -47.13 69.98 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.605 0.24 . . . . 0.0 110.793 178.045 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1937 ' ' LEU . . . . . . . . . . . . . 20.3 tp -69.92 -29.14 66.23 Favored 'General case' 0 CA--C 1.514 -0.413 0 CA-C-O 121.171 0.51 . . . . 0.0 110.531 179.662 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1938 ' ' GLN . . . . . 0.538 ' HA ' ' HB2' ' A' 1879 ' ' PRO . 36.8 tt0 -68.8 -28.62 66.93 Favored 'General case' 0 N--CA 1.443 -0.813 0 N-CA-C 109.558 -0.534 . . . . 0.0 109.558 177.591 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1939 ' ' CYS . . . . . . . . . . . . . 41.9 t -80.8 -48.27 12.7 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.661 -0.699 . . . . 0.0 109.954 175.491 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1940 ' ' SER . . . . . . . . . . . . . 24.5 m -112.9 90.63 15.92 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.098 176.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1941 ' ' PRO . . . . . . . . . . . . . 94.2 Cg_endo -80.57 -8.13 13.64 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.568 2.179 . . . . 0.0 113.614 -172.543 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1942 ' ' SER . . . . . . . . . . . . . 9.7 t -106.96 -6.64 17.4 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.748 0.308 . . . . 0.0 110.84 -176.12 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1943 ' ' ASP . . . . . . . . . . . . . 18.1 t70 -81.78 107.48 14.55 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.886 0.374 . . . . 0.0 110.149 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1944 ' ' VAL . . . . . . . . . . . . . 11.1 p -67.59 -33.62 63.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.09 -175.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1945 ' ' TYR . . . . . . . . . . . . . 95.5 m-85 -60.43 -43.7 96.52 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.935 0.398 . . . . 0.0 110.311 -178.293 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1946 ' ' THR . . . . . . . . . . . . . 63.7 m -60.17 -41.06 92.04 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.663 176.191 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1947 ' ' LYS . . . . . . . . . . . . . 18.1 ttpt -63.33 -44.66 94.25 Favored 'General case' 0 N--CA 1.455 -0.196 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.458 -179.132 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1948 ' ' LYS . . . . . 0.529 ' HZ1' ' HB3' ' A' 1948 ' ' LYS . 0.2 OUTLIER -60.94 -41.89 97.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.507 -0.315 . . . . 0.0 110.442 -176.453 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A 1949 ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -60.77 -28.71 68.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.828 178.779 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1950 ' ' LEU . . . . . 0.469 HD12 HD22 ' A' 1882 ' ' LEU . 6.4 tt -74.78 -54.91 6.46 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.113 179.497 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1951 ' ' ILE . . . . . 0.763 HG13 ' HB ' ' A' 1872 ' ' VAL . 2.1 mp -61.76 -48.08 90.33 Favored 'Isoleucine or valine' 0 C--O 1.234 0.285 0 CA-C-O 120.989 0.423 . . . . 0.0 111.122 -178.447 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1952 ' ' GLU . . . . . 0.575 ' O ' ' HG2' ' A' 1956 ' ' ARG . 33.5 mt-10 -68.2 -19.0 64.73 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.706 -175.401 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1953 ' ' CYS . . . . . . . . . . . . . 10.1 t -88.01 -36.55 16.95 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 121.004 -0.278 . . . . 0.0 110.754 178.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1954 ' ' ALA . . . . . 0.43 ' O ' HG23 ' A' 1957 ' ' VAL . . . -63.06 -33.58 75.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.048 0.451 . . . . 0.0 111.172 -178.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1955 ' ' ARG . . . . . . . . . . . . . 6.9 ptm180 -72.24 -22.58 61.22 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.626 177.464 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1956 ' ' ARG . . . . . 0.575 ' HG2' ' O ' ' A' 1952 ' ' GLU . 24.6 mmm180 -75.33 -38.83 59.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.198 0.523 . . . . 0.0 109.606 177.289 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1957 ' ' VAL . . . . . 0.544 ' O ' HG13 ' A' 1961 ' ' VAL . 6.6 m -79.83 -26.3 12.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.247 -177.231 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1958 ' ' SER . . . . . 0.521 ' O ' HG23 ' A' 1961 ' ' VAL . 6.8 p -64.39 -24.74 67.74 Favored 'General case' 0 CA--C 1.532 0.255 0 CA-C-O 121.182 0.515 . . . . 0.0 110.258 177.154 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1959 ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -70.03 -40.99 74.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.21 0.529 . . . . 0.0 110.211 172.204 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1960 ' ' LYS . . . . . 0.743 ' HD2' ' HB3' ' A' 1922 ' ' GLU . 72.1 mmtt -66.43 -37.76 85.9 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.859 -175.675 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1961 ' ' VAL . . . . . 0.764 HG21 ' HB3' ' A' 1865 ' ' ALA . 2.8 m -63.56 -35.11 71.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 120.938 0.399 . . . . 0.0 110.142 -179.829 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1962 ' ' SER . . . . . 0.46 ' HA ' HD11 ' A' 1965 ' ' LEU . 46.8 t -69.32 -27.55 65.47 Favored 'General case' 0 N--CA 1.452 -0.355 0 CA-C-N 115.921 -0.581 . . . . 0.0 109.937 177.804 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1963 ' ' HIS . . . . . . . . . . . . . 56.5 m170 -75.63 -31.39 59.85 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.916 -0.583 . . . . 0.0 110.101 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1964 ' ' VAL . . . . . 0.426 ' O ' HD21 ' A' 1968 ' ' LEU . 94.9 t -63.69 -43.37 98.04 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.226 0 N-CA-C 109.091 -0.707 . . . . 0.0 109.091 171.848 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1965 ' ' LEU . . . . . 0.582 ' HG ' ' O ' ' A' 1961 ' ' VAL . 63.0 mt -57.73 -47.52 82.22 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.369 -0.832 . . . . 0.0 110.456 178.498 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1966 ' ' ALA . . . . . . . . . . . . . . . -67.83 -42.61 81.19 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.757 -178.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1967 ' ' ALA . . . . . . . . . . . . . . . -60.56 -46.59 89.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.454 -177.538 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1968 ' ' LEU . . . . . 0.774 ' HB3' ' HG3' ' A' 1854 ' ' GLN . 4.2 mm? -73.26 -38.36 66.0 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.497 -177.906 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1969 ' ' GLN . . . . . . . . . . . . . 46.6 mt-30 . . . . . 0 C--O 1.235 0.329 0 CA-C-O 121.03 0.443 . . . . 0.0 111.232 -177.028 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A 1850 ' ' PHE . . . . . . . . . . . . . 86.5 t80 . . . . . 0 CA--C 1.527 0.067 0 CA-C-O 120.765 0.317 . . . . 0.0 111.595 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A 1851 ' ' VAL . . . . . . . . . . . . . 16.8 m -57.98 -29.97 37.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 N-CA-C 112.63 0.604 . . . . 0.0 112.63 -175.8 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1852 ' ' ASP . . . . . . . . . . . . . 15.7 m-20 -70.17 -51.85 27.99 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 121.042 0.449 . . . . 0.0 110.358 -179.624 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1853 ' ' TYR . . . . . . . . . . . . . 10.0 m-85 -69.81 -33.47 72.38 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.62 -0.718 . . . . 0.0 109.866 -179.039 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1854 ' ' GLN . . . . . 0.991 ' HG3' ' HB3' ' A' 1968 ' ' LEU . 54.3 tt0 -55.65 -58.25 8.6 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.225 -0.898 . . . . 0.0 110.704 176.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1855 ' ' THR . . . . . 0.478 ' O ' ' HG2' ' A' 1859 ' ' ARG . 14.5 m -60.34 -26.75 66.81 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.556 -0.747 . . . . 0.0 111.051 -178.604 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1856 ' ' THR . . . . . 0.505 HG21 ' HG3' ' A' 1899 ' ' GLN . 1.2 m -71.51 -58.58 3.37 Favored 'General case' 0 N--CA 1.444 -0.745 0 N-CA-C 112.475 0.546 . . . . 0.0 112.475 -176.57 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1857 ' ' MET . . . . . 0.693 ' SD ' HD23 ' A' 1968 ' ' LEU . 5.9 ptp -76.94 -18.77 58.04 Favored 'General case' 0 C--N 1.331 -0.229 0 C-N-CA 120.292 -0.563 . . . . 0.0 111.958 -170.27 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1858 ' ' VAL . . . . . 0.465 ' O ' ' HG3' ' A' 1862 ' ' LYS . 23.9 m -66.63 -34.27 68.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 C-N-CA 119.683 -0.807 . . . . 0.0 109.216 173.111 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1859 ' ' ARG . . . . . 0.478 ' HG2' ' O ' ' A' 1855 ' ' THR . 25.7 mmm180 -69.99 -44.65 68.95 Favored 'General case' 0 CA--C 1.52 -0.182 0 CA-C-N 116.105 -0.498 . . . . 0.0 109.938 176.563 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1860 ' ' THR . . . . . . . . . . . . . 6.3 m -61.41 -41.05 96.54 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.846 179.483 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1861 ' ' ALA . . . . . . . . . . . . . . . -63.15 -42.21 99.4 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.442 -0.345 . . . . 0.0 110.88 178.287 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1862 ' ' LYS . . . . . 0.465 ' HG3' ' O ' ' A' 1858 ' ' VAL . 59.1 mttm -62.71 -36.48 83.08 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.291 177.333 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1863 ' ' ALA . . . . . . . . . . . . . . . -66.58 -44.7 81.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.299 178.733 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1864 ' ' ILE . . . . . . . . . . . . . 77.9 mt -60.56 -42.81 92.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.147 176.159 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1865 ' ' ALA . . . . . 0.698 ' HB3' HG23 ' A' 1961 ' ' VAL . . . -60.12 -40.4 89.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.891 -179.433 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1866 ' ' VAL . . . . . 0.648 ' HA ' ' HG2' ' A' 1869 ' ' GLN . 8.3 p -78.38 -29.73 15.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 C-N-CA 120.322 -0.551 . . . . 0.0 110.528 179.551 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1867 ' ' THR . . . . . 0.632 ' O ' ' HG3' ' A' 1871 ' ' MET . 62.7 m -65.35 -51.0 63.47 Favored 'General case' 0 C--N 1.332 -0.186 0 C-N-CA 120.996 -0.281 . . . . 0.0 110.412 174.812 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1868 ' ' VAL . . . . . 0.464 ' HA ' ' SD ' ' A' 1871 ' ' MET . 32.6 m -63.13 -36.19 74.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.473 -0.33 . . . . 0.0 111.023 -177.839 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1869 ' ' GLN . . . . . 0.648 ' HG2' ' HA ' ' A' 1866 ' ' VAL . 2.2 pt20 -72.58 -30.57 64.5 Favored 'General case' 0 N--CA 1.452 -0.351 0 C-N-CA 120.498 -0.481 . . . . 0.0 110.116 179.457 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1870 ' ' GLU . . . . . 0.643 ' O ' ' HG2' ' A' 1874 ' ' LYS . 24.9 mt-10 -60.97 -44.09 97.83 Favored 'General case' 0 CA--C 1.515 -0.376 0 N-CA-C 109.812 -0.44 . . . . 0.0 109.812 172.662 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1871 ' ' MET . . . . . 0.632 ' HG3' ' O ' ' A' 1867 ' ' THR . 35.5 mtp -57.94 -43.23 86.2 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.961 -177.444 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1872 ' ' VAL . . . . . 0.824 ' HB ' HG13 ' A' 1951 ' ' ILE . 1.5 m -69.12 -29.07 41.62 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.317 0 CA-C-O 121.479 0.657 . . . . 0.0 110.555 179.357 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1873 ' ' THR . . . . . . . . . . . . . 91.8 m -77.81 -45.77 23.48 Favored 'General case' 0 N--CA 1.443 -0.822 0 CA-C-N 114.882 -1.054 . . . . 0.0 110.98 -178.463 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1874 ' ' LYS . . . . . 0.643 ' HG2' ' O ' ' A' 1870 ' ' GLU . 33.8 mmtp -67.48 -31.61 71.86 Favored 'General case' 0 C--O 1.219 -0.537 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.241 -176.186 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1875 ' ' SER . . . . . . . . . . . . . 46.4 m -63.38 -5.81 4.03 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 112.232 0.456 . . . . 0.0 112.232 -176.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1876 ' ' ASN . . . . . . . . . . . . . 16.7 m120 -88.43 -23.78 23.21 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.751 -0.204 . . . . 0.0 111.133 179.142 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1877 ' ' THR . . . . . . . . . . . . . 16.9 p -136.83 -43.35 0.59 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.929 0.395 . . . . 0.0 111.788 -176.873 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1878 ' ' SER . . . . . 0.414 ' HB3' ' HG2' ' A' 1881 ' ' GLU . 64.5 m -111.41 90.77 12.63 Favored Pre-proline 0 C--N 1.322 -0.611 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.974 -176.66 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1879 ' ' PRO . . . . . 0.804 ' HA ' HD12 ' A' 1882 ' ' LEU . 12.3 Cg_endo -94.02 15.45 1.27 Allowed 'Trans proline' 0 N--CA 1.447 -1.25 0 C-N-CA 122.185 1.923 . . . . 0.0 111.769 176.677 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1880 ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -111.22 -17.72 13.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.959 -0.564 . . . . 0.0 112.314 179.6 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1881 ' ' GLU . . . . . 0.414 ' HG2' ' HB3' ' A' 1878 ' ' SER . 8.6 pt-20 -90.77 -10.83 41.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.137 0.494 . . . . 0.0 111.051 179.222 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1882 ' ' LEU . . . . . 0.804 HD12 ' HA ' ' A' 1879 ' ' PRO . 0.8 OUTLIER -59.61 -30.46 68.71 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 113.02 0.748 . . . . 0.0 113.02 -177.205 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A 1883 ' ' GLY . . . . . . . . . . . . . . . -57.01 -60.78 8.41 Favored Glycine 0 CA--C 1.519 0.33 0 C-N-CA 120.898 -0.667 . . . . 0.0 112.055 176.242 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1884 ' ' PRO . . . . . . . . . . . . . 71.0 Cg_exo -49.68 -44.08 37.29 Favored 'Trans proline' 0 C--N 1.347 0.451 0 C-N-CA 122.767 2.311 . . . . 0.0 112.454 171.668 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1885 ' ' LEU . . . . . 0.538 HD11 ' HG3' ' A' 1874 ' ' LYS . 64.9 mt -60.55 -41.37 94.38 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.799 0.333 . . . . 0.0 111.318 -179.788 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1886 ' ' ALA . . . . . 0.411 ' HB3' ' HB ' ' A' 1931 ' ' VAL . . . -64.22 -41.79 96.86 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.128 0.49 . . . . 0.0 110.372 177.527 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1887 ' ' ASN . . . . . . . . . . . . . 52.0 t30 -63.73 -39.02 93.27 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.84 -0.618 . . . . 0.0 109.864 176.313 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1888 ' ' GLN . . . . . . . . . . . . . 22.9 tp60 -61.23 -49.44 77.11 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.415 -0.811 . . . . 0.0 110.796 179.103 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1889 ' ' LEU . . . . . . . . . . . . . 1.1 tt -56.2 -49.86 72.89 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 176.753 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1890 ' ' THR . . . . . . . . . . . . . 82.2 m -57.44 -37.61 73.09 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.005 -0.998 . . . . 0.0 111.533 -179.451 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1891 ' ' SER . . . . . . . . . . . . . 52.5 m -67.29 -45.38 76.74 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.552 -177.613 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1892 ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -77.2 -25.3 51.63 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 112.198 0.444 . . . . 0.0 112.198 -175.504 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1893 ' ' TYR . . . . . . . . . . . . . 47.7 t80 -60.03 -39.53 86.17 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 120.366 -0.534 . . . . 0.0 110.424 174.781 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1894 ' ' GLY . . . . . . . . . . . . . . . -60.48 -35.99 90.22 Favored Glycine 0 C--O 1.229 -0.211 0 C-N-CA 120.961 -0.638 . . . . 0.0 111.957 178.461 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1895 ' ' ARG . . . . . . . . . . . . . 10.3 ttm180 -67.99 -45.89 72.85 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.277 0.561 . . . . 0.0 109.786 177.259 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1896 ' ' LEU . . . . . 0.516 HD12 HG11 ' A' 1964 ' ' VAL . 43.0 tp -59.66 -57.08 14.48 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.118 -0.946 . . . . 0.0 111.847 -178.445 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1897 ' ' ALA . . . . . . . . . . . . . . . -64.68 -24.43 67.57 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.951 -0.568 . . . . 0.0 112.398 -172.582 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1898 ' ' SER . . . . . . . . . . . . . 67.8 m -80.22 -31.17 38.62 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.898 0.38 . . . . 0.0 110.84 -173.696 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1899 ' ' GLN . . . . . 0.766 ' HA ' HE21 ' A' 1899 ' ' GLN . 0.0 OUTLIER -79.18 -6.26 56.15 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.852 -179.474 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A 1900 ' ' ALA . . . . . . . . . . . . . . . -72.15 -30.87 65.44 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.684 177.197 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1901 ' ' LYS . . . . . . . . . . . . . 56.5 tptt -62.43 -58.23 18.32 Favored Pre-proline 0 CA--C 1.538 0.504 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.701 -178.636 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1902 ' ' PRO . . . . . . . . . . . . . 48.7 Cg_endo -68.75 -23.01 36.27 Favored 'Trans proline' 0 C--N 1.355 0.907 0 C-N-CA 121.852 1.701 . . . . 0.0 112.453 -178.747 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1903 ' ' ALA . . . . . . . . . . . . . . . -76.29 -39.48 54.11 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.95 179.606 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1904 ' ' ALA . . . . . . . . . . . . . . . -72.84 -31.69 64.95 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.839 -175.385 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1905 ' ' VAL . . . . . . . . . . . . . 35.2 m -82.37 -21.18 9.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.984 179.522 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1906 ' ' ALA . . . . . . . . . . . . . . . -82.28 -39.7 22.57 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.878 0.37 . . . . 0.0 110.294 177.19 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1907 ' ' ALA . . . . . . . . . . . . . . . -64.84 117.54 7.69 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.943 179.097 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1908 ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -65.4 -40.24 93.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.673 -0.694 . . . . 0.0 111.401 179.791 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1909 ' ' ASN . . . . . 0.736 ' HB3' HG13 ' A' 1912 ' ' ILE . 49.1 t-20 -74.43 129.05 37.05 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.026 -178.071 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1910 ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -47.83 -50.45 26.13 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.335 -0.848 . . . . 0.0 111.791 178.481 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1911 ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -70.06 -31.72 69.47 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.777 -0.647 . . . . 0.0 112.542 -170.121 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1912 ' ' ILE . . . . . 0.736 HG13 ' HB3' ' A' 1909 ' ' ASN . 62.1 mt -55.35 -54.5 24.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 C-N-CA 120.735 -0.386 . . . . 0.0 110.791 -177.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1913 ' ' GLY . . . . . . . . . . . . . . . -73.46 -32.84 59.32 Favored Glycine 0 N--CA 1.447 -0.572 0 C-N-CA 120.646 -0.788 . . . . 0.0 112.034 -178.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1914 ' ' ALA . . . . . . . . . . . . . . . -66.09 -41.64 90.39 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.733 0.302 . . . . 0.0 110.347 -178.709 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1915 ' ' HIS . . . . . 0.629 ' O ' ' HG2' ' A' 1919 ' ' ARG . 60.0 m-70 -60.38 -50.44 73.58 Favored 'General case' 0 CA--C 1.515 -0.378 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.652 178.79 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1916 ' ' ILE . . . . . . . . . . . . . 85.7 mt -50.93 -53.2 14.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.643 178.214 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1917 ' ' LYS . . . . . 0.479 ' HA ' HG21 ' A' 1920 ' ' VAL . 18.8 mtpp -63.32 -36.43 83.66 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.463 -0.789 . . . . 0.0 111.928 -178.212 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1918 ' ' HIS . . . . . . . . . . . . . 40.4 m-70 -69.12 -30.83 69.19 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.998 0.428 . . . . 0.0 111.499 178.375 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1919 ' ' ARG . . . . . 0.629 ' HG2' ' O ' ' A' 1915 ' ' HIS . 0.3 OUTLIER -81.84 -37.64 26.7 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.589 -0.278 . . . . 0.0 111.095 -177.658 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A 1920 ' ' VAL . . . . . 0.479 HG21 ' HA ' ' A' 1917 ' ' LYS . 30.2 m -68.45 -27.27 35.96 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.172 0 N-CA-C 109.787 -0.449 . . . . 0.0 109.787 174.621 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1921 ' ' GLN . . . . . . . . . . . . . 30.4 mt-30 -58.39 -54.07 51.12 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-O 121.211 0.529 . . . . 0.0 110.233 170.369 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1922 ' ' GLU . . . . . 0.99 ' HB3' ' HD3' ' A' 1960 ' ' LYS . 51.9 mm-40 -56.51 -40.28 74.75 Favored 'General case' 0 N--CA 1.45 -0.45 0 CA-C-N 115.372 -0.831 . . . . 0.0 111.213 -179.628 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1923 ' ' LEU . . . . . . . . . . . . . 66.9 mt -73.0 -27.71 61.94 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.092 -0.503 . . . . 0.0 111.486 179.313 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1924 ' ' GLY . . . . . . . . . . . . . . . -62.24 -57.57 16.36 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.665 -0.779 . . . . 0.0 112.31 -179.864 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1925 ' ' HIS . . . . . 0.451 ' NE2' ' HA ' ' A' 1922 ' ' GLU . 2.6 p-80 -78.46 -18.44 54.87 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.801 0.334 . . . . 0.0 111.326 178.218 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1926 ' ' GLY . . . . . . . . . . . . . . . -76.06 -48.73 9.38 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.758 179.141 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1927 ' ' CYS . . . . . . . . . . . . . 63.4 m -69.06 -32.67 72.31 Favored 'General case' 0 C--N 1.329 -0.324 0 O-C-N 122.763 -0.257 . . . . 0.0 111.155 -177.365 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1928 ' ' SER . . . . . . . . . . . . . 13.4 p -63.99 -23.64 67.41 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.903 0.382 . . . . 0.0 110.787 179.801 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1929 ' ' ALA . . . . . . . . . . . . . . . -77.39 -43.85 31.3 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.131 0.491 . . . . 0.0 110.105 176.079 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1930 ' ' LEU . . . . . 0.432 ' HG ' ' HB3' ' A' 1953 ' ' CYS . 0.5 OUTLIER -62.73 -47.88 81.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.465 -178.373 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A 1931 ' ' VAL . . . . . 0.411 ' HB ' ' HB3' ' A' 1886 ' ' ALA . 31.5 m -62.91 -30.84 50.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.505 -0.316 . . . . 0.0 111.35 -176.533 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1932 ' ' THR . . . . . . . . . . . . . 75.5 m -71.59 -42.7 67.41 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.507 -0.315 . . . . 0.0 110.602 175.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1933 ' ' LYS . . . . . . . . . . . . . 33.9 mmtp -66.99 -36.55 82.42 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.653 -0.249 . . . . 0.0 110.771 179.084 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1934 ' ' ALA . . . . . . . . . . . . . . . -59.17 -51.15 71.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.554 175.732 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1935 ' ' GLY . . . . . . . . . . . . . . . -63.33 -37.08 94.29 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.832 -0.699 . . . . 0.0 112.166 178.005 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1936 ' ' ALA . . . . . . . . . . . . . . . -65.84 -47.3 75.43 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.507 0.194 . . . . 0.0 111.157 179.846 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1937 ' ' LEU . . . . . 0.445 ' HB2' HG21 ' A' 1946 ' ' THR . 29.8 tp -67.48 -32.15 72.78 Favored 'General case' 0 CA--C 1.514 -0.422 0 CA-C-O 121.278 0.561 . . . . 0.0 110.095 178.406 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1938 ' ' GLN . . . . . 0.471 ' HG3' ' O ' ' A' 1879 ' ' PRO . 28.6 tt0 -66.69 -31.09 71.53 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.746 179.813 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1939 ' ' CYS . . . . . . . . . . . . . 60.4 m -86.43 -22.13 26.7 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.813 177.147 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1940 ' ' SER . . . . . . . . . . . . . 67.3 m -138.98 79.7 26.23 Favored Pre-proline 0 C--N 1.326 -0.418 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.746 178.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1941 ' ' PRO . . . . . . . . . . . . . 43.4 Cg_endo -69.62 -14.52 36.66 Favored 'Trans proline' 0 C--N 1.343 0.268 0 C-N-CA 122.578 2.185 . . . . 0.0 112.302 -177.723 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1942 ' ' SER . . . . . . . . . . . . . 14.8 m -86.26 -10.2 55.03 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.056 -178.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1943 ' ' ASP . . . . . . . . . . . . . 12.9 t70 -84.63 110.31 18.64 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 179.162 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1944 ' ' VAL . . . . . 0.535 ' O ' ' HG2' ' A' 1948 ' ' LYS . 12.0 p -75.64 -32.71 25.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.244 -174.075 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1945 ' ' TYR . . . . . . . . . . . . . 69.4 m-85 -71.99 -36.4 69.76 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.666 0.269 . . . . 0.0 111.147 -174.86 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1946 ' ' THR . . . . . 0.445 HG21 ' HB2' ' A' 1937 ' ' LEU . 95.7 m -60.62 -39.29 87.68 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.136 0.493 . . . . 0.0 109.793 172.789 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1947 ' ' LYS . . . . . . . . . . . . . 31.7 ttpt -68.34 -42.55 79.12 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.381 -0.827 . . . . 0.0 110.525 179.272 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1948 ' ' LYS . . . . . 0.535 ' HG2' ' O ' ' A' 1944 ' ' VAL . 9.0 mmpt? -53.93 -54.28 41.05 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.732 -179.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1949 ' ' GLU . . . . . . . . . . . . . 35.9 mm-40 -65.27 -25.57 67.71 Favored 'General case' 0 C--O 1.221 -0.4 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.796 -179.007 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1950 ' ' LEU . . . . . 0.631 HD11 HD21 ' A' 1882 ' ' LEU . 7.1 tt -65.48 -50.81 63.92 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 177.022 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1951 ' ' ILE . . . . . 0.824 HG13 ' HB ' ' A' 1872 ' ' VAL . 1.8 mp -61.95 -48.86 86.6 Favored 'Isoleucine or valine' 0 C--O 1.236 0.345 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.088 177.095 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1952 ' ' GLU . . . . . 0.586 ' O ' ' HG3' ' A' 1956 ' ' ARG . 30.4 mm-40 -59.39 -45.98 89.94 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.48 -179.577 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1953 ' ' CYS . . . . . 0.432 ' HB3' ' HG ' ' A' 1930 ' ' LEU . 25.4 t -61.25 -39.61 91.0 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.479 0.181 . . . . 0.0 111.061 -177.343 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1954 ' ' ALA . . . . . 0.451 ' HB3' ' HB ' ' A' 1868 ' ' VAL . . . -64.87 -41.98 95.22 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.803 0.335 . . . . 0.0 111.193 -179.302 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1955 ' ' ARG . . . . . 0.66 ' HA ' ' HG ' ' A' 1958 ' ' SER . 0.0 OUTLIER -73.69 -23.38 59.8 Favored 'General case' 0 C--N 1.325 -0.471 0 C-N-CA 120.757 -0.377 . . . . 0.0 110.382 178.278 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A 1956 ' ' ARG . . . . . 0.586 ' HG3' ' O ' ' A' 1952 ' ' GLU . 84.0 mtt180 -70.3 -46.9 63.36 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.903 0.383 . . . . 0.0 110.382 174.49 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1957 ' ' VAL . . . . . 0.434 ' O ' HG13 ' A' 1961 ' ' VAL . 21.1 m -78.19 -25.98 14.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 N-CA-C 111.865 0.32 . . . . 0.0 111.865 -176.666 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1958 ' ' SER . . . . . 0.66 ' HG ' ' HA ' ' A' 1955 ' ' ARG . 8.3 p -66.41 -28.41 68.6 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 120.996 -0.282 . . . . 0.0 110.82 179.708 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1959 ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -65.93 -38.55 88.95 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 171.16 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1960 ' ' LYS . . . . . 0.99 ' HD3' ' HB3' ' A' 1922 ' ' GLU . 66.4 mttm -70.36 -37.1 74.55 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.17 -176.168 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1961 ' ' VAL . . . . . 0.698 HG23 ' HB3' ' A' 1865 ' ' ALA . 2.7 m -66.1 -31.59 54.35 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.192 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 175.356 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1962 ' ' SER . . . . . 0.563 ' HA ' HD11 ' A' 1965 ' ' LEU . 49.3 m -71.32 -24.85 62.2 Favored 'General case' 0 N--CA 1.451 -0.408 0 CA-C-N 115.458 -0.792 . . . . 0.0 110.138 177.85 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1963 ' ' HIS . . . . . . . . . . . . . 33.2 m170 -77.69 -31.41 52.42 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.845 -0.616 . . . . 0.0 109.988 177.797 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1964 ' ' VAL . . . . . 0.516 HG11 HD12 ' A' 1896 ' ' LEU . 72.6 t -59.26 -50.1 81.05 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.205 0 N-CA-C 108.791 -0.818 . . . . 0.0 108.791 171.753 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1965 ' ' LEU . . . . . 0.563 HD11 ' HA ' ' A' 1962 ' ' SER . 37.2 mt -49.69 -47.38 50.34 Favored 'General case' 0 CA--C 1.532 0.261 0 CA-C-N 115.48 -0.782 . . . . 0.0 111.092 179.261 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1966 ' ' ALA . . . . . . . . . . . . . . . -64.75 -34.48 78.42 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.71 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1967 ' ' ALA . . . . . . . . . . . . . . . -64.68 -43.47 93.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.508 -0.314 . . . . 0.0 111.352 -178.805 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1968 ' ' LEU . . . . . 0.991 ' HB3' ' HG3' ' A' 1854 ' ' GLN . 2.7 mm? -65.54 -39.12 91.38 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-O 121.169 0.509 . . . . 0.0 110.568 178.677 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1969 ' ' GLN . . . . . . . . . . . . . 72.1 mt-30 . . . . . 0 C--N 1.324 -0.501 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.033 -176.914 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A 1850 ' ' PHE . . . . . 0.411 ' HE1' HD12 ' A' 1916 ' ' ILE . 86.3 t80 . . . . . 0 CA--C 1.529 0.141 0 N-CA-C 111.576 0.213 . . . . 0.0 111.576 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1851 ' ' VAL . . . . . . . . . . . . . 35.2 m -54.9 -36.54 38.12 Favored 'Isoleucine or valine' 0 C--O 1.235 0.304 0 N-CA-C 112.227 0.454 . . . . 0.0 112.227 -178.346 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1852 ' ' ASP . . . . . . . . . . . . . 36.1 t70 -79.54 -47.94 14.69 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.839 0.352 . . . . 0.0 110.547 -177.214 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1853 ' ' TYR . . . . . 0.59 ' O ' ' HG2' ' A' 1857 ' ' MET . 56.1 m-85 -61.68 -39.89 93.04 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.353 -179.599 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1854 ' ' GLN . . . . . 0.786 ' HG3' ' HB3' ' A' 1968 ' ' LEU . 26.9 tt0 -53.39 -51.6 62.02 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.558 174.419 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1855 ' ' THR . . . . . 0.633 ' O ' ' HG2' ' A' 1859 ' ' ARG . 40.4 m -68.31 -36.87 79.96 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.732 -0.667 . . . . 0.0 112.042 -174.642 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1856 ' ' THR . . . . . 0.511 HG23 ' HA ' ' A' 1853 ' ' TYR . 13.8 t -72.42 -45.45 59.59 Favored 'General case' 0 CA--C 1.538 0.495 0 N-CA-C 112.248 0.462 . . . . 0.0 112.248 -173.35 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1857 ' ' MET . . . . . 0.59 ' HG2' ' O ' ' A' 1853 ' ' TYR . 11.5 ptm -79.01 -21.47 46.92 Favored 'General case' 0 C--N 1.33 -0.254 0 O-C-N 122.068 -0.395 . . . . 0.0 112.031 -172.485 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1858 ' ' VAL . . . . . 0.469 HG13 ' O ' ' A' 1854 ' ' GLN . 26.4 m -69.51 -29.28 41.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 C-N-CA 119.864 -0.734 . . . . 0.0 109.61 174.105 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1859 ' ' ARG . . . . . 0.633 ' HG2' ' O ' ' A' 1855 ' ' THR . 15.9 mmt180 -71.32 -41.49 69.79 Favored 'General case' 0 C--O 1.233 0.188 0 N-CA-C 109.491 -0.559 . . . . 0.0 109.491 176.475 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1860 ' ' THR . . . . . . . . . . . . . 3.6 m -61.41 -42.73 99.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.458 -0.792 . . . . 0.0 110.798 179.787 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1861 ' ' ALA . . . . . 0.441 ' HB2' ' HB ' ' A' 1961 ' ' VAL . . . -57.78 -39.24 77.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.13 179.773 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1862 ' ' LYS . . . . . . . . . . . . . 51.1 mttm -66.83 -37.38 84.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.675 179.583 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1863 ' ' ALA . . . . . . . . . . . . . . . -72.44 -34.81 68.06 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.536 179.784 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1864 ' ' ILE . . . . . 0.588 ' O ' HG12 ' A' 1868 ' ' VAL . 68.6 mt -65.33 -46.31 90.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.105 174.355 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1865 ' ' ALA . . . . . 0.775 ' HB3' HG21 ' A' 1961 ' ' VAL . . . -57.7 -51.35 69.89 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.681 -179.017 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1866 ' ' VAL . . . . . 0.484 ' O ' ' HG3' ' A' 1870 ' ' GLU . 11.7 p -61.4 -31.24 49.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 C-N-CA 120.866 -0.334 . . . . 0.0 110.739 -179.751 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1867 ' ' THR . . . . . 0.664 ' O ' ' HG3' ' A' 1871 ' ' MET . 96.2 m -66.25 -52.33 48.71 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.625 -0.261 . . . . 0.0 110.875 177.62 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1868 ' ' VAL . . . . . 0.588 HG12 ' O ' ' A' 1864 ' ' ILE . 2.5 m -63.36 -30.67 50.36 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.331 0 CA-C-O 121.75 0.786 . . . . 0.0 110.069 -178.786 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1869 ' ' GLN . . . . . . . . . . . . . 5.6 tp-100 -75.56 -28.33 58.96 Favored 'General case' 0 N--CA 1.429 -1.489 0 CA-C-N 114.788 -1.096 . . . . 0.0 110.231 -179.87 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1870 ' ' GLU . . . . . 0.484 ' HG3' ' O ' ' A' 1866 ' ' VAL . 48.3 mt-10 -72.29 -41.71 66.33 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 109.954 -0.387 . . . . 0.0 109.954 170.929 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1871 ' ' MET . . . . . 0.664 ' HG3' ' O ' ' A' 1867 ' ' THR . 46.1 mtp -57.7 -42.99 84.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.261 -176.769 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1872 ' ' VAL . . . . . . . . . . . . . 27.0 m -73.13 -29.31 28.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.792 0.329 . . . . 0.0 111.624 178.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1873 ' ' THR . . . . . . . . . . . . . 95.7 m -76.71 -41.29 45.75 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.056 0.455 . . . . 0.0 110.914 179.866 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1874 ' ' LYS . . . . . 0.659 ' HD2' ' HG3' ' A' 1881 ' ' GLU . 70.4 mmtt -70.57 -43.41 69.5 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.108 -178.852 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1875 ' ' SER . . . . . 0.549 ' HB3' HD13 ' A' 1882 ' ' LEU . 12.4 p -57.12 -20.63 26.87 Favored 'General case' 0 N--CA 1.465 0.301 0 N-CA-C 113.107 0.781 . . . . 0.0 113.107 -171.878 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1876 ' ' ASN . . . . . . . . . . . . . 92.1 m-20 -61.0 -36.33 79.22 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.783 0.325 . . . . 0.0 111.274 179.148 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1877 ' ' THR . . . . . . . . . . . . . 37.0 p -129.05 -38.54 1.62 Allowed 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.063 0.459 . . . . 0.0 111.644 -177.611 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1878 ' ' SER . . . . . . . . . . . . . 50.2 m -112.8 104.68 55.97 Favored Pre-proline 0 C--N 1.322 -0.611 0 CA-C-N 115.837 -0.619 . . . . 0.0 111.764 -171.742 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1879 ' ' PRO . . . . . 0.799 ' HA ' HD12 ' A' 1882 ' ' LEU . 53.1 Cg_endo -90.03 -8.06 4.25 Favored 'Trans proline' 0 N--CA 1.442 -1.514 0 C-N-CA 121.971 1.781 . . . . 0.0 111.841 171.929 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1880 ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 -73.24 -32.37 64.68 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.6 177.353 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1881 ' ' GLU . . . . . 0.659 ' HG3' ' HD2' ' A' 1874 ' ' LYS . 9.6 mm-40 -70.46 -14.6 62.6 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.542 -178.7 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1882 ' ' LEU . . . . . 0.799 HD12 ' HA ' ' A' 1879 ' ' PRO . 1.7 mt -84.69 -4.33 58.97 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.468 -0.787 . . . . 0.0 112.722 -169.571 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1883 ' ' GLY . . . . . . . . . . . . . . . -76.06 -60.77 3.02 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.438 -0.886 . . . . 0.0 111.269 174.196 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1884 ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -55.5 -42.3 69.29 Favored 'Trans proline' 0 C--N 1.349 0.576 0 C-N-CA 122.751 2.3 . . . . 0.0 112.18 175.427 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1885 ' ' LEU . . . . . 0.487 ' HB3' ' HG2' ' A' 1871 ' ' MET . 43.1 mt -60.4 -40.22 90.18 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.813 -178.447 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1886 ' ' ALA . . . . . . . . . . . . . . . -65.74 -45.22 83.42 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.981 0.42 . . . . 0.0 110.67 179.767 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1887 ' ' ASN . . . . . . . . . . . . . 92.9 m-20 -65.56 -35.19 80.13 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.077 0.465 . . . . 0.0 110.304 177.205 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1888 ' ' GLN . . . . . . . . . . . . . 33.5 tp60 -64.85 -49.58 70.02 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.58 -0.737 . . . . 0.0 110.792 179.57 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1889 ' ' LEU . . . . . 0.466 HD11 ' SD ' ' A' 1871 ' ' MET . 0.8 OUTLIER -57.94 -45.25 86.88 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 109.546 -0.538 . . . . 0.0 109.546 177.441 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A 1890 ' ' THR . . . . . . . . . . . . . 87.7 m -59.67 -44.58 93.55 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.612 -0.722 . . . . 0.0 111.386 179.423 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1891 ' ' SER . . . . . . . . . . . . . 21.0 t -68.44 -45.87 71.36 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.844 -178.551 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1892 ' ' ASP . . . . . 0.48 ' HB3' HG12 ' A' 1864 ' ' ILE . 0.1 OUTLIER -65.95 -40.14 91.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.525 -0.307 . . . . 0.0 110.93 -177.79 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A 1893 ' ' TYR . . . . . . . . . . . . . 27.4 t80 -60.09 -43.9 95.18 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.626 0.251 . . . . 0.0 110.699 176.031 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1894 ' ' GLY . . . . . . . . . . . . . . . -58.01 -36.54 81.62 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.849 -0.691 . . . . 0.0 111.763 179.104 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1895 ' ' ARG . . . . . . . . . . . . . 41.6 ttm105 -69.18 -46.91 66.34 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.001 0.429 . . . . 0.0 110.141 176.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1896 ' ' LEU . . . . . 0.462 HD22 HD13 ' A' 1864 ' ' ILE . 57.8 tp -57.76 -47.33 82.82 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.986 179.307 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1897 ' ' ALA . . . . . . . . . . . . . . . -64.69 -24.06 67.45 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.328 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1898 ' ' SER . . . . . . . . . . . . . 35.0 t -79.46 -21.16 45.81 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.585 0.707 . . . . 0.0 109.547 -177.29 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1899 ' ' GLN . . . . . . . . . . . . . 10.6 mt-30 -95.36 -16.78 22.11 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.106 -0.952 . . . . 0.0 110.483 -177.887 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1900 ' ' ALA . . . . . 0.404 ' HA ' ' HE1' ' A' 1857 ' ' MET . . . -74.5 -31.21 62.1 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.767 -0.652 . . . . 0.0 110.643 176.665 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1901 ' ' LYS . . . . . 0.677 ' HB3' ' HD3' ' A' 1902 ' ' PRO . 24.1 tptm -59.24 -57.71 24.97 Favored Pre-proline 0 CA--C 1.54 0.571 0 CA-C-N 115.355 -0.838 . . . . 0.0 112.107 -177.581 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1902 ' ' PRO . . . . . 0.677 ' HD3' ' HB3' ' A' 1901 ' ' LYS . 4.9 Cg_exo -77.7 -20.21 12.2 Favored 'Trans proline' 0 C--N 1.353 0.806 0 C-N-CA 121.891 1.727 . . . . 0.0 112.362 -176.508 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1903 ' ' ALA . . . . . . . . . . . . . . . -72.08 -36.59 69.56 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.871 0.367 . . . . 0.0 110.623 179.803 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1904 ' ' ALA . . . . . . . . . . . . . . . -72.77 -32.69 65.81 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.739 -176.47 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1905 ' ' VAL . . . . . . . . . . . . . 34.7 m -85.23 -26.92 6.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 115.923 -0.58 . . . . 0.0 111.244 -179.163 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1906 ' ' ALA . . . . . . . . . . . . . . . -74.3 -45.96 44.23 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.558 0.218 . . . . 0.0 110.79 179.094 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1907 ' ' ALA . . . . . . . . . . . . . . . -57.36 137.8 55.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.304 -179.294 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1908 ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -93.61 -12.4 29.55 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.158 0.504 . . . . 0.0 110.486 -179.353 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1909 ' ' ASN . . . . . . . . . . . . . 42.6 m-80 -86.02 130.98 34.37 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.352 177.837 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1910 ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -56.23 -50.87 70.04 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.845 178.719 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1911 ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -63.82 -39.8 95.08 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.48 -0.782 . . . . 0.0 111.966 -173.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1912 ' ' ILE . . . . . 0.549 ' O ' HG13 ' A' 1916 ' ' ILE . 53.8 mt -59.24 -53.68 44.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 C-N-CA 120.66 -0.416 . . . . 0.0 110.275 -179.861 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1913 ' ' GLY . . . . . . . . . . . . . . . -59.72 -32.36 73.97 Favored Glycine 0 C--N 1.33 0.239 0 C-N-CA 120.973 -0.632 . . . . 0.0 112.425 -179.885 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1914 ' ' ALA . . . . . . . . . . . . . . . -74.81 -46.26 37.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.656 0.265 . . . . 0.0 110.738 179.613 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1915 ' ' HIS . . . . . 0.658 ' O ' ' HG2' ' A' 1919 ' ' ARG . 67.8 m-70 -63.03 -45.16 93.59 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.332 -177.586 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1916 ' ' ILE . . . . . 0.549 HG13 ' O ' ' A' 1912 ' ' ILE . 98.9 mt -50.96 -56.37 4.82 Favored 'Isoleucine or valine' 0 C--O 1.234 0.245 0 CA-C-O 121.133 0.492 . . . . 0.0 111.375 -178.772 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1917 ' ' LYS . . . . . 0.456 ' HA ' HG22 ' A' 1920 ' ' VAL . 56.8 mtmt -73.8 -24.82 59.87 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.316 -177.336 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1918 ' ' HIS . . . . . 0.473 ' O ' ' HB3' ' A' 1921 ' ' GLN . 8.3 t-80 -69.37 -31.65 70.18 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.951 0.405 . . . . 0.0 110.227 178.895 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1919 ' ' ARG . . . . . 0.658 ' HG2' ' O ' ' A' 1915 ' ' HIS . 24.6 mmt180 -75.68 -49.16 19.16 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.675 -178.225 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1920 ' ' VAL . . . . . 0.456 HG22 ' HA ' ' A' 1917 ' ' LYS . 32.7 m -66.63 -24.21 32.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 121.094 0.474 . . . . 0.0 110.208 178.269 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1921 ' ' GLN . . . . . 0.473 ' HB3' ' O ' ' A' 1918 ' ' HIS . 40.1 tt0 -54.24 -53.73 49.63 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.894 175.638 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1922 ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -75.41 -32.62 60.81 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.196 -177.367 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1923 ' ' LEU . . . . . . . . . . . . . 30.9 mt -61.84 -30.51 70.89 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.261 178.051 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1924 ' ' GLY . . . . . . . . . . . . . . . -62.25 -41.6 99.72 Favored Glycine 0 N--CA 1.449 -0.456 0 C-N-CA 120.789 -0.72 . . . . 0.0 111.975 177.382 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1925 ' ' HIS . . . . . . . . . . . . . 23.5 m170 -70.46 -44.44 67.77 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.737 -0.468 . . . . 0.0 109.737 178.771 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1926 ' ' GLY . . . . . 0.433 ' O ' ' HB2' ' A' 1930 ' ' LEU . . . -62.67 -38.86 97.13 Favored Glycine 0 N--CA 1.447 -0.603 0 CA-C-N 115.748 -0.66 . . . . 0.0 112.195 179.621 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1927 ' ' CYS . . . . . . . . . . . . . 53.6 t -63.64 -52.61 60.06 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.541 0.21 . . . . 0.0 110.447 177.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1928 ' ' SER . . . . . . . . . . . . . 62.5 p -63.08 -34.39 77.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.043 -176.875 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1929 ' ' ALA . . . . . . . . . . . . . . . -72.8 -48.75 35.37 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.466 -0.333 . . . . 0.0 111.043 178.788 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1930 ' ' LEU . . . . . 0.444 ' HG ' ' HB3' ' A' 1953 ' ' CYS . 0.4 OUTLIER -61.47 -46.11 91.41 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.122 -175.28 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A 1931 ' ' VAL . . . . . . . . . . . . . 23.4 m -64.55 -28.91 45.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.851 0.358 . . . . 0.0 111.063 -177.594 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1932 ' ' THR . . . . . . . . . . . . . 30.9 m -76.05 -41.0 52.09 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.281 177.194 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1933 ' ' LYS . . . . . . . . . . . . . 75.1 mmtt -64.62 -37.34 87.24 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.026 0.441 . . . . 0.0 110.152 176.629 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1934 ' ' ALA . . . . . . . . . . . . . . . -61.63 -50.54 72.16 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.506 176.473 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1935 ' ' GLY . . . . . . . . . . . . . . . -65.24 -33.45 86.85 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.881 -0.676 . . . . 0.0 112.319 178.584 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1936 ' ' ALA . . . . . . . . . . . . . . . -65.44 -48.25 73.37 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.758 0.313 . . . . 0.0 110.664 177.719 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1937 ' ' LEU . . . . . . . . . . . . . 24.4 tp -66.99 -31.98 72.92 Favored 'General case' 0 CA--C 1.513 -0.464 0 CA-C-O 121.148 0.499 . . . . 0.0 110.407 178.77 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1938 ' ' GLN . . . . . 0.521 ' HA ' ' HB2' ' A' 1879 ' ' PRO . 37.6 tt0 -68.37 -26.91 65.81 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.142 178.928 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1939 ' ' CYS . . . . . . . . . . . . . 42.2 t -82.97 -35.61 25.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.364 176.105 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1940 ' ' SER . . . . . . . . . . . . . 74.9 m -128.27 83.28 66.58 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.916 177.313 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1941 ' ' PRO . . . . . 0.621 ' HB3' ' HG3' ' A' 1879 ' ' PRO . 51.7 Cg_endo -70.56 -21.35 29.91 Favored 'Trans proline' 0 C--N 1.343 0.288 0 C-N-CA 122.522 2.148 . . . . 0.0 112.691 -175.918 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1942 ' ' SER . . . . . . . . . . . . . 32.2 m -85.04 -1.82 57.27 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.335 -177.021 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1943 ' ' ASP . . . . . . . . . . . . . 23.5 t70 -94.93 111.59 23.37 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.895 0.379 . . . . 0.0 110.263 179.428 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1944 ' ' VAL . . . . . . . . . . . . . 9.8 p -75.68 -28.61 19.71 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.716 -176.671 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1945 ' ' TYR . . . . . 0.445 ' O ' ' HG3' ' A' 1949 ' ' GLU . 66.5 m-85 -64.88 -43.2 93.69 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.735 -177.24 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1946 ' ' THR . . . . . . . . . . . . . 85.5 m -59.06 -41.01 86.92 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.405 174.838 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1947 ' ' LYS . . . . . 0.449 ' HG3' ' HB2' ' A' 1875 ' ' SER . 11.7 ttpp -67.41 -37.93 83.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.163 179.477 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1948 ' ' LYS . . . . . 0.455 ' HE2' ' HA ' ' A' 1948 ' ' LYS . 7.6 mmpt? -58.2 -49.81 75.75 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.434 178.816 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1949 ' ' GLU . . . . . 0.445 ' HG3' ' O ' ' A' 1945 ' ' TYR . 37.5 mt-10 -65.5 -28.13 68.97 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.039 -178.022 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1950 ' ' LEU . . . . . 0.436 HD11 HD22 ' A' 1882 ' ' LEU . 7.7 tt -63.45 -47.48 81.65 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.007 -0.738 . . . . 0.0 109.007 174.723 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1951 ' ' ILE . . . . . 0.466 ' O ' ' HG2' ' A' 1955 ' ' ARG . 1.7 mp -63.41 -44.71 99.04 Favored 'Isoleucine or valine' 0 C--O 1.235 0.314 0 CA-C-N 115.615 -0.721 . . . . 0.0 110.289 176.384 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1952 ' ' GLU . . . . . 0.444 ' O ' ' HG3' ' A' 1956 ' ' ARG . 35.7 mm-40 -55.61 -39.81 71.26 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.264 178.49 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1953 ' ' CYS . . . . . 0.444 ' HB3' ' HG ' ' A' 1930 ' ' LEU . 11.7 t -74.53 -42.63 58.53 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 116.513 -0.312 . . . . 0.0 110.775 -177.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1954 ' ' ALA . . . . . . . . . . . . . . . -64.58 -41.49 96.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.516 -0.311 . . . . 0.0 111.677 -176.821 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1955 ' ' ARG . . . . . 0.466 ' HG2' ' O ' ' A' 1951 ' ' ILE . 9.9 ptp180 -66.96 -24.6 66.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.876 0.369 . . . . 0.0 110.629 179.113 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1956 ' ' ARG . . . . . 0.548 ' O ' ' HD3' ' A' 1960 ' ' LYS . 43.8 mtp180 -81.28 -30.03 34.14 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.667 179.708 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1957 ' ' VAL . . . . . 0.467 ' O ' HG13 ' A' 1961 ' ' VAL . 12.1 m -89.07 -30.95 5.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 C-N-CA 120.644 -0.422 . . . . 0.0 111.934 -178.187 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1958 ' ' SER . . . . . 0.604 ' O ' HG23 ' A' 1961 ' ' VAL . 23.4 p -63.78 -24.03 67.6 Favored 'General case' 0 CA--C 1.531 0.213 0 CA-C-O 120.931 0.396 . . . . 0.0 111.47 -175.781 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1959 ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -77.87 -33.79 51.95 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.784 0.326 . . . . 0.0 110.802 174.422 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1960 ' ' LYS . . . . . 0.548 ' HD3' ' O ' ' A' 1956 ' ' ARG . 12.1 mptt -66.54 -31.39 72.07 Favored 'General case' 0 CA--C 1.516 -0.328 0 CA-C-N 116.554 -0.294 . . . . 0.0 110.691 -178.879 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1961 ' ' VAL . . . . . 0.775 HG21 ' HB3' ' A' 1865 ' ' ALA . 2.2 m -64.97 -37.26 79.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 116.209 -0.451 . . . . 0.0 109.833 -179.89 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1962 ' ' SER . . . . . 0.574 ' HA ' HD11 ' A' 1965 ' ' LEU . 14.3 m -73.0 -24.98 60.82 Favored 'General case' 0 N--CA 1.441 -0.907 0 CA-C-O 121.305 0.574 . . . . 0.0 110.154 176.521 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1963 ' ' HIS . . . . . 0.439 ' HB3' ' HD2' ' A' 1919 ' ' ARG . 64.5 m170 -72.21 -30.37 64.86 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.655 -0.702 . . . . 0.0 109.785 176.618 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1964 ' ' VAL . . . . . 0.427 ' O ' HD22 ' A' 1968 ' ' LEU . 90.7 t -65.38 -44.93 94.45 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.203 0 N-CA-C 108.921 -0.77 . . . . 0.0 108.921 172.558 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1965 ' ' LEU . . . . . 0.574 HD11 ' HA ' ' A' 1962 ' ' SER . 54.1 mt -53.87 -46.51 71.35 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.007 -0.997 . . . . 0.0 110.735 178.671 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1966 ' ' ALA . . . . . . . . . . . . . . . -75.98 -31.23 58.88 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.88 -178.286 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1967 ' ' ALA . . . . . . . . . . . . . . . -63.99 -46.43 84.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.009 0.433 . . . . 0.0 111.184 -179.75 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1968 ' ' LEU . . . . . 0.786 ' HB3' ' HG3' ' A' 1854 ' ' GLN . 4.1 mm? -71.75 -29.75 64.85 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.972 -179.454 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1969 ' ' GLN . . . . . . . . . . . . . 47.4 mt-30 . . . . . 0 C--N 1.324 -0.525 0 CA-C-N 116.517 -0.31 . . . . 0.0 110.961 -179.085 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A 1850 ' ' PHE . . . . . 0.545 ' HZ ' HD13 ' A' 1916 ' ' ILE . 86.2 t80 . . . . . 0 N--CA 1.45 -0.459 0 CA-C-O 120.979 0.418 . . . . 0.0 110.109 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1851 ' ' VAL . . . . . . . . . . . . . 28.1 m -48.88 -37.0 8.56 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.291 0 CA-C-N 115.426 -0.806 . . . . 0.0 112.421 179.796 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1852 ' ' ASP . . . . . . . . . . . . . 20.6 t70 -66.72 -43.87 83.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.138 0.495 . . . . 0.0 111.244 -176.791 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1853 ' ' TYR . . . . . 0.43 ' CE1' ' HB2' ' A' 1902 ' ' PRO . 51.4 m-85 -81.29 -23.67 37.76 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.33 -177.295 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1854 ' ' GLN . . . . . 0.891 ' HG3' ' HB3' ' A' 1968 ' ' LEU . 6.8 tt0 -68.5 -55.91 10.14 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.503 -0.772 . . . . 0.0 110.604 176.488 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1855 ' ' THR . . . . . 0.571 ' O ' ' HG2' ' A' 1859 ' ' ARG . 14.7 m -59.26 -40.68 86.76 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.993 -0.549 . . . . 0.0 112.31 -174.412 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1856 ' ' THR . . . . . 0.478 HG22 ' N ' ' A' 1857 ' ' MET . 6.2 t -62.33 -53.42 55.27 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 112.559 0.578 . . . . 0.0 112.559 -173.467 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1857 ' ' MET . . . . . 0.662 ' SD ' HD22 ' A' 1968 ' ' LEU . 7.2 ptp -77.85 -24.19 48.67 Favored 'General case' 0 C--N 1.327 -0.4 0 C-N-CA 120.415 -0.514 . . . . 0.0 111.972 -172.58 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1858 ' ' VAL . . . . . 0.422 ' O ' ' HG3' ' A' 1862 ' ' LYS . 23.3 m -69.87 -32.07 50.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 C-N-CA 119.546 -0.862 . . . . 0.0 109.251 174.736 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1859 ' ' ARG . . . . . 0.571 ' HG2' ' O ' ' A' 1855 ' ' THR . 30.5 mmt180 -70.23 -37.65 75.04 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-O 121.124 0.488 . . . . 0.0 109.691 174.322 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1860 ' ' THR . . . . . 0.478 ' HA ' HH21 ' A' 1895 ' ' ARG . 99.0 m -65.64 -44.26 86.96 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.504 -0.771 . . . . 0.0 111.069 176.781 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1861 ' ' ALA . . . . . . . . . . . . . . . -59.5 -40.01 85.66 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.842 0.353 . . . . 0.0 110.929 179.297 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1862 ' ' LYS . . . . . 0.422 ' HG3' ' O ' ' A' 1858 ' ' VAL . 52.1 mttm -64.03 -41.03 97.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.428 177.133 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1863 ' ' ALA . . . . . . . . . . . . . . . -67.16 -36.46 81.86 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.773 178.88 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1864 ' ' ILE . . . . . 0.627 ' O ' HG13 ' A' 1868 ' ' VAL . 76.1 mt -65.17 -47.52 87.24 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-N 116.368 -0.378 . . . . 0.0 109.994 174.777 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1865 ' ' ALA . . . . . 0.758 ' HB1' HG22 ' A' 1961 ' ' VAL . . . -56.72 -42.13 78.65 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.019 -0.537 . . . . 0.0 112.119 -177.709 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1866 ' ' VAL . . . . . . . . . . . . . 12.6 p -71.96 -32.44 44.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 C-N-CA 120.565 -0.454 . . . . 0.0 110.587 179.717 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1867 ' ' THR . . . . . 0.404 ' O ' ' HG3' ' A' 1871 ' ' MET . 92.1 m -68.96 -46.69 67.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.558 -0.292 . . . . 0.0 111.133 179.585 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1868 ' ' VAL . . . . . 0.627 HG13 ' O ' ' A' 1864 ' ' ILE . 3.2 m -62.62 -30.26 48.85 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.311 0 CA-C-O 121.767 0.794 . . . . 0.0 109.646 178.733 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1869 ' ' GLN . . . . . . . . . . . . . 8.9 tp-100 -78.32 -35.66 47.41 Favored 'General case' 0 N--CA 1.421 -1.912 0 CA-C-N 114.856 -1.066 . . . . 0.0 110.356 -177.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1870 ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -65.03 -36.04 83.12 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.97 -0.382 . . . . 0.0 109.97 173.165 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1871 ' ' MET . . . . . 0.404 ' HG3' ' O ' ' A' 1867 ' ' THR . 8.1 mtt -56.65 -51.25 69.44 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.03 177.697 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1872 ' ' VAL . . . . . 0.447 HG13 ' HA ' ' A' 1951 ' ' ILE . 33.2 m -72.36 -28.48 28.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 120.893 0.378 . . . . 0.0 111.532 -178.755 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1873 ' ' THR . . . . . . . . . . . . . 92.6 m -72.59 -47.13 50.49 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 120.995 0.426 . . . . 0.0 110.855 177.863 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1874 ' ' LYS . . . . . . . . . . . . . 71.5 mmtt -71.09 -37.27 72.42 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.75 -176.676 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1875 ' ' SER . . . . . 0.635 ' HB3' HD12 ' A' 1882 ' ' LEU . 12.0 p -57.32 -14.56 4.68 Favored 'General case' 0 N--CA 1.468 0.428 0 N-CA-C 112.594 0.59 . . . . 0.0 112.594 -175.123 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1876 ' ' ASN . . . . . . . . . . . . . 12.6 m120 -61.76 -43.36 99.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.51 -0.313 . . . . 0.0 111.048 176.704 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1877 ' ' THR . . . . . . . . . . . . . 74.1 p -131.35 -5.13 3.8 Favored 'General case' 0 CA--C 1.532 0.28 0 N-CA-C 112.045 0.387 . . . . 0.0 112.045 -177.601 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1878 ' ' SER . . . . . . . . . . . . . 68.7 m -138.26 109.2 8.17 Favored Pre-proline 0 C--N 1.325 -0.488 0 N-CA-C 111.99 0.367 . . . . 0.0 111.99 -173.808 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1879 ' ' PRO . . . . . 0.792 ' HA ' HD11 ' A' 1882 ' ' LEU . 25.9 Cg_endo -95.86 -3.65 1.94 Allowed 'Trans proline' 0 N--CA 1.442 -1.555 0 C-N-CA 121.827 1.685 . . . . 0.0 111.399 168.038 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1880 ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -71.59 -50.85 27.06 Favored 'General case' 0 C--N 1.334 -0.07 0 CA-C-N 115.52 -0.764 . . . . 0.0 110.341 179.115 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1881 ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 -63.1 -14.63 50.69 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 115.315 -0.857 . . . . 0.0 111.051 -176.662 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1882 ' ' LEU . . . . . 0.792 HD11 ' HA ' ' A' 1879 ' ' PRO . 6.7 mt -75.26 -12.21 60.23 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.588 -0.733 . . . . 0.0 112.131 -175.378 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1883 ' ' GLY . . . . . . . . . . . . . . . -75.38 -61.33 3.01 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.353 -0.927 . . . . 0.0 111.702 175.173 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1884 ' ' PRO . . . . . . . . . . . . . 9.2 Cg_endo -55.48 -41.19 80.49 Favored 'Trans proline' 0 C--N 1.346 0.444 0 C-N-CA 122.975 2.45 . . . . 0.0 112.495 174.71 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1885 ' ' LEU . . . . . . . . . . . . . 66.3 mt -60.15 -36.88 78.54 Favored 'General case' 0 N--CA 1.464 0.225 0 CA-C-O 120.519 0.199 . . . . 0.0 111.206 179.752 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1886 ' ' ALA . . . . . 0.45 ' HB2' ' HB ' ' A' 1931 ' ' VAL . . . -64.36 -49.47 71.51 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.996 0.427 . . . . 0.0 110.29 178.004 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1887 ' ' ASN . . . . . . . . . . . . . 46.4 t30 -61.66 -39.71 92.34 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.259 178.099 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1888 ' ' GLN . . . . . . . . . . . . . 34.8 tp60 -61.12 -50.55 72.79 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.423 -0.808 . . . . 0.0 111.135 179.267 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1889 ' ' LEU . . . . . 0.562 HD12 HG11 ' A' 1868 ' ' VAL . 1.6 tt -57.98 -44.06 86.9 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.344 0.592 . . . . 0.0 109.493 178.105 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1890 ' ' THR . . . . . . . . . . . . . 60.7 m -61.03 -47.85 84.51 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.344 -0.843 . . . . 0.0 111.432 -179.159 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1891 ' ' SER . . . . . . . . . . . . . 20.5 t -64.5 -36.12 83.18 Favored 'General case' 0 C--O 1.236 0.388 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.961 -177.748 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1892 ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -72.78 -39.1 67.03 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.923 178.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1893 ' ' TYR . . . . . . . . . . . . . 45.7 t80 -60.24 -39.13 85.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.634 0.254 . . . . 0.0 110.596 175.818 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1894 ' ' GLY . . . . . . . . . . . . . . . -60.86 -32.12 78.4 Favored Glycine 0 CA--C 1.517 0.205 0 C-N-CA 120.854 -0.688 . . . . 0.0 112.006 176.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1895 ' ' ARG . . . . . 0.478 HH21 ' HA ' ' A' 1860 ' ' THR . 41.1 ttp-105 -78.36 -26.58 46.69 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.304 0.574 . . . . 0.0 110.167 178.106 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1896 ' ' LEU . . . . . 0.432 HD12 ' HB2' ' A' 1857 ' ' MET . 52.8 tp -73.17 -54.92 7.25 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.465 -0.789 . . . . 0.0 110.957 179.118 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1897 ' ' ALA . . . . . . . . . . . . . . . -65.73 -24.98 67.09 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.916 -0.584 . . . . 0.0 112.065 -174.767 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1898 ' ' SER . . . . . . . . . . . . . 8.8 p -80.42 -19.67 45.65 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.921 0.391 . . . . 0.0 110.849 -174.663 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1899 ' ' GLN . . . . . . . . . . . . . 79.9 mm-40 -89.86 -11.23 42.55 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.611 177.184 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1900 ' ' ALA . . . . . . . . . . . . . . . -71.51 -31.86 67.55 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.653 179.469 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1901 ' ' LYS . . . . . 0.449 ' HB3' ' HD3' ' A' 1902 ' ' PRO . 9.2 tmtm? -66.96 -56.46 13.65 Favored Pre-proline 0 CA--C 1.541 0.607 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.189 -178.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1902 ' ' PRO . . . . . 0.449 ' HD3' ' HB3' ' A' 1901 ' ' LYS . 53.0 Cg_endo -70.13 -18.79 35.06 Favored 'Trans proline' 0 C--N 1.354 0.82 0 C-N-CA 121.965 1.776 . . . . 0.0 112.688 179.399 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1903 ' ' ALA . . . . . . . . . . . . . . . -75.94 -35.38 59.73 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.914 0.388 . . . . 0.0 110.721 177.522 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1904 ' ' ALA . . . . . . . . . . . . . . . -70.41 -30.98 67.99 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.087 0.47 . . . . 0.0 110.558 -177.096 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1905 ' ' VAL . . . . . . . . . . . . . 33.9 m -89.29 -7.63 10.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.601 -177.589 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1906 ' ' ALA . . . . . . . . . . . . . . . -113.03 12.02 19.13 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.058 0.456 . . . . 0.0 110.386 178.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1907 ' ' ALA . . . . . . . . . . . . . . . -84.94 125.51 32.73 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.882 -178.619 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1908 ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -69.77 -35.5 74.96 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.5 179.414 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1909 ' ' ASN . . . . . 0.765 ' HB2' HG13 ' A' 1912 ' ' ILE . 2.3 m-20 -103.33 153.64 20.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.114 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1910 ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -62.09 -53.14 59.65 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.868 177.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1911 ' ' GLU . . . . . 0.468 ' HB3' ' CD2' ' A' 1915 ' ' HIS . 32.8 mt-10 -59.76 -36.19 76.13 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.444 -0.798 . . . . 0.0 111.969 -175.262 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1912 ' ' ILE . . . . . 0.765 HG13 ' HB2' ' A' 1909 ' ' ASN . 57.1 mt -55.98 -52.87 44.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 N-CA-C 110.307 -0.257 . . . . 0.0 110.307 -179.126 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1913 ' ' GLY . . . . . 0.408 ' O ' ' HD3' ' A' 1917 ' ' LYS . . . -67.81 -25.14 74.23 Favored Glycine 0 N--CA 1.449 -0.5 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.418 -178.774 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1914 ' ' ALA . . . . . . . . . . . . . . . -81.23 -50.94 8.96 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 122.769 -0.253 . . . . 0.0 111.306 -178.54 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1915 ' ' HIS . . . . . 0.607 ' O ' ' HG2' ' A' 1919 ' ' ARG . 72.5 m-70 -55.48 -44.19 76.26 Favored 'General case' 0 CA--C 1.519 -0.229 0 CA-C-N 116.515 -0.311 . . . . 0.0 111.433 -175.057 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1916 ' ' ILE . . . . . 0.545 HD13 ' HZ ' ' A' 1850 ' ' PHE . 81.8 mt -49.25 -54.58 5.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 121.372 0.606 . . . . 0.0 110.983 178.782 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1917 ' ' LYS . . . . . 0.418 ' HA ' HG21 ' A' 1920 ' ' VAL . 19.9 mtpp -68.95 -32.28 71.76 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.25 -0.886 . . . . 0.0 111.258 -175.5 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1918 ' ' HIS . . . . . . . . . . . . . 70.1 m-70 -67.91 -35.16 77.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.987 0.422 . . . . 0.0 111.097 178.326 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1919 ' ' ARG . . . . . 0.764 ' HD3' ' HB3' ' A' 1963 ' ' HIS . 1.7 mmp_? -81.59 -40.76 22.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.636 -175.864 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1920 ' ' VAL . . . . . 0.418 HG21 ' HA ' ' A' 1917 ' ' LYS . 33.1 m -66.57 -26.79 38.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 C-N-CA 120.822 -0.351 . . . . 0.0 110.744 179.134 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1921 ' ' GLN . . . . . . . . . . . . . 26.3 tt0 -67.04 -44.07 81.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.058 0.456 . . . . 0.0 110.298 176.686 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1922 ' ' GLU . . . . . . . . . . . . . 24.7 tt0 -71.13 -35.44 71.73 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-N 115.944 -0.571 . . . . 0.0 109.634 -179.098 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1923 ' ' LEU . . . . . . . . . . . . . 11.5 mt -64.24 -44.91 90.35 Favored 'General case' 0 C--O 1.224 -0.272 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.715 174.286 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1924 ' ' GLY . . . . . . . . . . . . . . . -54.78 -44.34 80.77 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 121.29 -0.481 . . . . 0.0 112.87 -179.01 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1925 ' ' HIS . . . . . . . . . . . . . 27.5 m80 -63.89 -45.08 90.98 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.707 0.289 . . . . 0.0 110.608 178.043 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1926 ' ' GLY . . . . . . . . . . . . . . . -65.97 -42.6 94.69 Favored Glycine 0 N--CA 1.449 -0.454 0 C-N-CA 120.897 -0.668 . . . . 0.0 112.506 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1927 ' ' CYS . . . . . . . . . . . . . 72.8 m -62.9 -46.09 89.46 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.682 0.277 . . . . 0.0 110.706 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1928 ' ' SER . . . . . . . . . . . . . 18.2 m -65.49 -39.69 92.21 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.746 -178.376 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1929 ' ' ALA . . . . . . . . . . . . . . . -66.75 -40.62 88.35 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.882 0.372 . . . . 0.0 110.482 176.506 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1930 ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -61.64 -51.4 68.62 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.698 -179.11 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1931 ' ' VAL . . . . . 0.45 ' HB ' ' HB2' ' A' 1886 ' ' ALA . 20.8 m -63.59 -27.58 43.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-O 120.702 0.287 . . . . 0.0 110.944 -178.07 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1932 ' ' THR . . . . . . . . . . . . . 57.6 m -69.87 -48.67 57.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.896 0.379 . . . . 0.0 110.114 175.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1933 ' ' LYS . . . . . . . . . . . . . 74.9 mmtt -66.69 -33.54 75.88 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.722 179.641 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1934 ' ' ALA . . . . . 0.512 ' HA ' HD13 ' A' 1950 ' ' LEU . . . -61.44 -48.68 80.03 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.585 176.89 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1935 ' ' GLY . . . . . . . . . . . . . . . -67.66 -31.58 76.49 Favored Glycine 0 N--CA 1.449 -0.47 0 C-N-CA 120.876 -0.678 . . . . 0.0 112.04 178.206 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1936 ' ' ALA . . . . . . . . . . . . . . . -68.36 -48.1 65.67 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.476 0.179 . . . . 0.0 110.765 177.66 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1937 ' ' LEU . . . . . . . . . . . . . 24.3 tp -65.72 -33.99 77.16 Favored 'General case' 0 CA--C 1.515 -0.389 0 CA-C-O 121.214 0.531 . . . . 0.0 110.47 178.57 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1938 ' ' GLN . . . . . 0.557 ' HA ' ' HB2' ' A' 1879 ' ' PRO . 23.0 tt0 -58.88 -38.35 78.62 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.226 178.689 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1939 ' ' CYS . . . . . . . . . . . . . 48.3 t -83.07 -34.13 26.24 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.626 -0.715 . . . . 0.0 110.402 178.824 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1940 ' ' SER . . . . . . . . . . . . . 18.8 m -122.78 86.54 49.99 Favored Pre-proline 0 C--N 1.327 -0.397 0 CA-C-N 116.431 -0.349 . . . . 0.0 111.14 -178.649 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1941 ' ' PRO . . . . . . . . . . . . . 84.1 Cg_endo -83.8 -9.07 10.04 Favored 'Trans proline' 0 N--CA 1.463 -0.296 0 C-N-CA 122.704 2.269 . . . . 0.0 113.222 -176.441 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1942 ' ' SER . . . . . . . . . . . . . 36.6 m -94.87 -13.01 25.88 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.952 0.406 . . . . 0.0 110.548 -179.327 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1943 ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -79.9 99.33 7.52 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.019 -0.537 . . . . 0.0 109.936 175.809 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1944 ' ' VAL . . . . . 0.536 ' O ' ' HG2' ' A' 1948 ' ' LYS . 14.0 p -66.43 -33.1 61.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.344 -175.531 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1945 ' ' TYR . . . . . . . . . . . . . 90.3 m-85 -73.8 -31.0 63.04 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.543 0.211 . . . . 0.0 110.511 -178.687 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1946 ' ' THR . . . . . . . . . . . . . 79.7 m -61.84 -38.46 88.31 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.3 0.571 . . . . 0.0 109.504 173.193 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1947 ' ' LYS . . . . . . . . . . . . . 31.8 ttpt -69.85 -41.82 74.36 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.507 -0.77 . . . . 0.0 110.259 176.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1948 ' ' LYS . . . . . 0.54 ' HE2' ' HA ' ' A' 1948 ' ' LYS . 9.8 mmpt? -57.04 -46.01 82.73 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.657 -179.487 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1949 ' ' GLU . . . . . . . . . . . . . 19.4 mm-40 -55.51 -40.99 72.46 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.846 178.419 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1950 ' ' LEU . . . . . 0.686 HD11 HD23 ' A' 1882 ' ' LEU . 7.6 tt -63.39 -51.63 65.03 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.191 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1951 ' ' ILE . . . . . 0.447 ' HA ' HG13 ' A' 1872 ' ' VAL . 1.7 mp -61.91 -46.09 97.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.702 -178.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1952 ' ' GLU . . . . . . . . . . . . . 40.6 mm-40 -59.65 -40.44 87.72 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.322 178.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1953 ' ' CYS . . . . . 0.516 ' O ' HG11 ' A' 1957 ' ' VAL . 7.3 t -69.13 -44.77 71.7 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 116.56 -0.291 . . . . 0.0 110.599 -178.297 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1954 ' ' ALA . . . . . . . . . . . . . . . -64.36 -42.87 95.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.775 0.321 . . . . 0.0 111.69 -177.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1955 ' ' ARG . . . . . 0.433 HH11 ' HD3' ' A' 1955 ' ' ARG . 4.0 ptm180 -65.96 -35.54 80.88 Favored 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 121.056 -0.257 . . . . 0.0 111.059 -178.566 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1956 ' ' ARG . . . . . . . . . . . . . 18.7 ptp180 -80.9 -22.88 39.37 Favored 'General case' 0 C--O 1.225 -0.213 0 C-N-CA 120.714 -0.394 . . . . 0.0 111.443 -176.098 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1957 ' ' VAL . . . . . 0.516 HG11 ' O ' ' A' 1953 ' ' CYS . 12.9 m -85.42 -22.46 7.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 C-N-CA 120.372 -0.531 . . . . 0.0 110.69 174.814 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1958 ' ' SER . . . . . 0.681 ' O ' HG21 ' A' 1961 ' ' VAL . 29.6 t -62.16 -28.62 69.78 Favored 'General case' 0 CA--C 1.531 0.214 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.864 -178.675 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1959 ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -81.45 -26.36 35.37 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.893 0.378 . . . . 0.0 111.197 176.093 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1960 ' ' LYS . . . . . 0.482 ' HA ' ' ND1' ' A' 1963 ' ' HIS . 40.8 mttm -71.6 -27.69 63.29 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.554 -0.294 . . . . 0.0 110.584 -179.098 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1961 ' ' VAL . . . . . 0.758 HG22 ' HB1' ' A' 1865 ' ' ALA . 3.4 m -64.2 -33.79 64.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 N-CA-C 109.538 -0.542 . . . . 0.0 109.538 175.616 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1962 ' ' SER . . . . . 0.52 ' HA ' HD13 ' A' 1965 ' ' LEU . 32.8 t -75.74 -25.01 56.17 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-N 115.634 -0.712 . . . . 0.0 109.82 178.935 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1963 ' ' HIS . . . . . 0.764 ' HB3' ' HD3' ' A' 1919 ' ' ARG . 49.0 m170 -69.99 -29.48 66.58 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.05 178.263 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1964 ' ' VAL . . . . . 0.612 ' O ' HD23 ' A' 1968 ' ' LEU . 61.7 t -71.85 -45.22 66.07 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.183 0 N-CA-C 109.082 -0.71 . . . . 0.0 109.082 172.542 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1965 ' ' LEU . . . . . 0.52 HD13 ' HA ' ' A' 1962 ' ' SER . 82.0 mt -51.77 -45.93 63.94 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.848 -0.614 . . . . 0.0 111.299 179.871 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1966 ' ' ALA . . . . . . . . . . . . . . . -75.7 -28.15 58.5 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 112.033 0.383 . . . . 0.0 112.033 -177.616 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1967 ' ' ALA . . . . . . . . . . . . . . . -71.34 -36.87 71.69 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.828 0.347 . . . . 0.0 111.269 -178.327 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1968 ' ' LEU . . . . . 0.891 ' HB3' ' HG3' ' A' 1854 ' ' GLN . 3.9 mm? -79.86 -33.71 39.9 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.898 -177.595 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1969 ' ' GLN . . . . . . . . . . . . . 48.0 mt-30 . . . . . 0 C--N 1.325 -0.468 0 CA-C-O 121.697 0.761 . . . . 0.0 109.65 -179.726 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A 1850 ' ' PHE . . . . . . . . . . . . . 83.8 t80 . . . . . 0 CA--C 1.53 0.201 0 CA-C-O 120.796 0.331 . . . . 0.0 111.19 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A 1851 ' ' VAL . . . . . . . . . . . . . 7.2 m -62.73 -28.69 45.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-O 121.007 0.432 . . . . 0.0 111.179 -178.545 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1852 ' ' ASP . . . . . . . . . . . . . 18.5 t70 -80.48 -47.4 14.35 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.175 177.89 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1853 ' ' TYR . . . . . 0.508 ' HB3' ' HB1' ' A' 1903 ' ' ALA . 30.1 m-85 -61.12 -37.16 81.82 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.521 -0.763 . . . . 0.0 111.144 -178.609 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1854 ' ' GLN . . . . . 0.654 ' HG3' ' HB3' ' A' 1968 ' ' LEU . 32.3 tt0 -57.14 -59.99 4.26 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.78 176.761 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1855 ' ' THR . . . . . 0.427 ' O ' ' HG2' ' A' 1859 ' ' ARG . 85.2 m -67.28 -34.23 76.96 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.999 -0.546 . . . . 0.0 112.192 -174.891 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1856 ' ' THR . . . . . 0.461 HG23 ' O ' ' A' 1853 ' ' TYR . 5.0 t -64.98 -46.05 83.08 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 112.015 0.376 . . . . 0.0 112.015 -172.409 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1857 ' ' MET . . . . . 0.633 ' SD ' HD22 ' A' 1968 ' ' LEU . 4.9 ptp -81.99 -30.63 31.51 Favored 'General case' 0 C--N 1.331 -0.21 0 O-C-N 122.009 -0.432 . . . . 0.0 112.092 -175.876 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1858 ' ' VAL . . . . . 0.41 HG11 ' O ' ' A' 1854 ' ' GLN . 28.9 m -64.02 -29.79 48.27 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.105 0 C-N-CA 120.051 -0.66 . . . . 0.0 109.567 177.598 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1859 ' ' ARG . . . . . 0.427 ' HG2' ' O ' ' A' 1855 ' ' THR . 11.7 mmt85 -64.14 -45.37 88.8 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.391 173.352 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1860 ' ' THR . . . . . . . . . . . . . 3.9 m -67.65 -39.17 84.6 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.682 -179.594 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1861 ' ' ALA . . . . . 0.482 ' HB3' ' HB ' ' A' 1961 ' ' VAL . . . -58.66 -42.41 88.34 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.364 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1862 ' ' LYS . . . . . . . . . . . . . 39.6 mttm -63.6 -39.37 94.19 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.688 178.848 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1863 ' ' ALA . . . . . . . . . . . . . . . -66.29 -35.84 81.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.812 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1864 ' ' ILE . . . . . 0.596 ' O ' HG11 ' A' 1868 ' ' VAL . 73.8 mt -66.88 -45.68 86.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.069 175.439 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1865 ' ' ALA . . . . . 0.773 ' HB2' HG23 ' A' 1961 ' ' VAL . . . -58.2 -43.91 87.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.007 -0.542 . . . . 0.0 112.037 -177.94 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1866 ' ' VAL . . . . . . . . . . . . . 13.9 p -68.83 -33.42 59.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 C-N-CA 120.636 -0.426 . . . . 0.0 110.433 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1867 ' ' THR . . . . . 0.619 ' O ' ' HG3' ' A' 1871 ' ' MET . 96.7 m -62.76 -51.75 65.89 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.508 -0.314 . . . . 0.0 110.681 177.843 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1868 ' ' VAL . . . . . 0.596 HG11 ' O ' ' A' 1864 ' ' ILE . 2.5 m -62.41 -31.09 50.63 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.222 0 CA-C-O 121.508 0.671 . . . . 0.0 110.161 -178.817 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1869 ' ' GLN . . . . . . . . . . . . . 8.9 tp-100 -74.14 -28.54 61.38 Favored 'General case' 0 N--CA 1.426 -1.67 0 CA-C-N 114.979 -1.009 . . . . 0.0 110.282 -178.451 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1870 ' ' GLU . . . . . 0.459 ' O ' ' HG2' ' A' 1874 ' ' LYS . 34.1 mt-10 -73.65 -47.44 39.94 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.078 172.029 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1871 ' ' MET . . . . . 0.619 ' HG3' ' O ' ' A' 1867 ' ' THR . 67.1 mtp -54.37 -46.51 73.03 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.568 -0.742 . . . . 0.0 111.315 -176.248 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1872 ' ' VAL . . . . . 0.522 ' HB ' HG13 ' A' 1951 ' ' ILE . 30.0 m -67.73 -32.81 58.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-O 120.831 0.348 . . . . 0.0 111.469 179.455 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1873 ' ' THR . . . . . . . . . . . . . 97.1 m -68.94 -39.12 79.75 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.324 0.583 . . . . 0.0 110.33 177.575 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1874 ' ' LYS . . . . . 0.459 ' HG2' ' O ' ' A' 1870 ' ' GLU . 67.6 mmtt -70.94 -38.48 72.87 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.54 -0.754 . . . . 0.0 111.307 -178.388 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1875 ' ' SER . . . . . . . . . . . . . 96.3 p -56.63 -20.79 22.99 Favored 'General case' 0 N--CA 1.465 0.295 0 N-CA-C 112.841 0.682 . . . . 0.0 112.841 -172.256 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1876 ' ' ASN . . . . . . . . . . . . . 88.6 m-20 -75.27 -19.71 59.55 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 111.769 0.285 . . . . 0.0 111.769 -177.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1877 ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -140.53 -37.55 0.45 Allowed 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 112.747 0.647 . . . . 0.0 112.747 -174.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1878 ' ' SER . . . . . 0.476 ' O ' HD11 ' A' 1882 ' ' LEU . 20.8 m -123.37 98.34 41.37 Favored Pre-proline 0 C--N 1.32 -0.697 0 CA-C-N 116.546 -0.297 . . . . 0.0 111.224 -174.805 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1879 ' ' PRO . . . . . 0.799 ' HG3' ' HB3' ' A' 1941 ' ' PRO . 53.7 Cg_endo -89.75 -14.56 2.39 Favored 'Trans proline' 0 N--CA 1.446 -1.316 0 C-N-CA 121.708 1.605 . . . . 0.0 112.933 178.509 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1880 ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -78.75 -42.25 28.57 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 112.042 0.386 . . . . 0.0 112.042 -175.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1881 ' ' GLU . . . . . 0.439 ' CD ' ' HD2' ' A' 1874 ' ' LYS . 15.3 pt-20 -72.14 -11.57 60.8 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.418 0.628 . . . . 0.0 110.331 -179.056 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1882 ' ' LEU . . . . . 0.748 HD11 ' HA ' ' A' 1879 ' ' PRO . 0.6 OUTLIER -63.32 -20.57 65.61 Favored 'General case' 0 N--CA 1.449 -0.489 0 CA-C-N 115.377 -0.829 . . . . 0.0 111.826 176.488 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A 1883 ' ' GLY . . . . . . . . . . . . . . . -62.64 -60.87 7.13 Favored Glycine 0 CA--C 1.518 0.258 0 C-N-CA 120.561 -0.828 . . . . 0.0 111.798 176.469 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1884 ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -51.3 -40.31 61.59 Favored 'Trans proline' 0 C--N 1.346 0.425 0 C-N-CA 122.722 2.281 . . . . 0.0 112.412 172.702 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1885 ' ' LEU . . . . . 0.508 ' HB3' ' HG2' ' A' 1871 ' ' MET . 57.1 mt -63.53 -39.61 94.87 Favored 'General case' 0 C--O 1.231 0.117 0 CA-C-N 116.506 -0.316 . . . . 0.0 111.164 179.315 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1886 ' ' ALA . . . . . . . . . . . . . . . -63.74 -44.37 93.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.969 0.414 . . . . 0.0 110.38 177.101 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1887 ' ' ASN . . . . . . . . . . . . . 88.0 m-20 -62.03 -38.88 90.36 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.938 -0.574 . . . . 0.0 109.886 176.683 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1888 ' ' GLN . . . . . . . . . . . . . 31.3 tp60 -61.59 -46.49 89.63 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.581 -0.736 . . . . 0.0 111.125 179.695 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1889 ' ' LEU . . . . . 0.472 HD11 ' SD ' ' A' 1871 ' ' MET . 1.4 tt -60.05 -46.96 87.81 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 109.179 -0.675 . . . . 0.0 109.179 176.633 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1890 ' ' THR . . . . . . . . . . . . . 45.6 m -57.57 -40.59 79.29 Favored 'General case' 0 C--O 1.237 0.443 0 CA-C-N 115.144 -0.935 . . . . 0.0 111.465 -179.757 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1891 ' ' SER . . . . . . . . . . . . . 48.1 m -66.71 -53.01 38.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.365 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1892 ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -63.72 -37.99 89.42 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 111.81 0.3 . . . . 0.0 111.81 -176.373 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1893 ' ' TYR . . . . . . . . . . . . . 51.8 t80 -58.2 -34.99 70.97 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-O 120.697 0.285 . . . . 0.0 110.797 177.522 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1894 ' ' GLY . . . . . . . . . . . . . . . -58.19 -42.36 95.26 Favored Glycine 0 N--CA 1.449 -0.461 0 C-N-CA 120.967 -0.635 . . . . 0.0 112.008 179.436 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1895 ' ' ARG . . . . . . . . . . . . . 9.8 ttp180 -66.4 -45.19 80.8 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.84 -0.429 . . . . 0.0 109.84 179.107 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1896 ' ' LEU . . . . . 0.431 HD11 ' HB2' ' A' 1857 ' ' MET . 57.3 tp -55.95 -50.55 70.45 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.32 -179.757 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1897 ' ' ALA . . . . . . . . . . . . . . . -64.01 -25.59 68.19 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.342 -178.491 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1898 ' ' SER . . . . . . . . . . . . . 48.9 m -81.58 -21.4 38.41 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.36 0.6 . . . . 0.0 110.095 -176.879 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1899 ' ' GLN . . . . . 0.435 ' OE1' ' HA ' ' A' 1857 ' ' MET . 81.0 mt-30 -91.36 -9.67 44.0 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.267 -0.879 . . . . 0.0 109.778 178.754 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1900 ' ' ALA . . . . . . . . . . . . . . . -80.23 -39.66 28.62 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-N 115.442 -0.799 . . . . 0.0 111.46 -178.805 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1901 ' ' LYS . . . . . 0.405 ' HB3' ' HD3' ' A' 1902 ' ' PRO . 87.6 tttt -63.54 -57.3 20.38 Favored Pre-proline 0 CA--C 1.538 0.495 0 CA-C-N 116.162 -0.472 . . . . 0.0 112.125 -176.263 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1902 ' ' PRO . . . . . 0.428 ' HA ' HG23 ' A' 1905 ' ' VAL . 37.5 Cg_endo -65.56 -22.57 58.27 Favored 'Trans proline' 0 C--N 1.355 0.882 0 C-N-CA 121.902 1.735 . . . . 0.0 112.177 -178.785 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1903 ' ' ALA . . . . . 0.508 ' HB1' ' HB3' ' A' 1853 ' ' TYR . . . -72.13 -33.55 67.89 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.057 0.456 . . . . 0.0 110.437 177.23 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1904 ' ' ALA . . . . . . . . . . . . . . . -76.87 -38.41 53.72 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.773 -0.649 . . . . 0.0 111.07 -176.62 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1905 ' ' VAL . . . . . 0.428 HG23 ' HA ' ' A' 1902 ' ' PRO . 29.5 m -75.64 -14.06 15.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.894 -179.693 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1906 ' ' ALA . . . . . . . . . . . . . . . -95.81 -25.41 16.05 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.956 0.407 . . . . 0.0 110.697 176.395 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1907 ' ' ALA . . . . . . . . . . . . . . . -67.1 116.61 8.1 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.65 -176.691 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1908 ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -75.67 -32.52 60.2 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.61 -0.723 . . . . 0.0 111.045 177.422 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1909 ' ' ASN . . . . . . . . . . . . . 40.9 t-20 -80.74 131.62 35.45 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.233 -177.37 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1910 ' ' GLU . . . . . . . . . . . . . 44.3 tt0 -52.69 -51.8 58.71 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.285 -0.87 . . . . 0.0 111.489 -178.737 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1911 ' ' GLU . . . . . . . . . . . . . 11.6 mt-10 -70.95 -37.19 72.81 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.805 -0.634 . . . . 0.0 112.053 -173.857 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1912 ' ' ILE . . . . . 0.555 ' O ' HG13 ' A' 1916 ' ' ILE . 56.0 mt -56.4 -53.29 42.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 C-N-CA 120.574 -0.45 . . . . 0.0 109.823 178.873 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1913 ' ' GLY . . . . . . . . . . . . . . . -62.74 -33.63 87.37 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.95 -0.643 . . . . 0.0 112.53 179.572 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1914 ' ' ALA . . . . . . . . . . . . . . . -73.31 -47.86 39.23 Favored 'General case' 0 C--N 1.329 -0.3 0 O-C-N 122.766 -0.255 . . . . 0.0 110.907 -178.438 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1915 ' ' HIS . . . . . 0.477 ' O ' ' HG2' ' A' 1919 ' ' ARG . 71.6 m-70 -60.01 -40.34 88.91 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.101 -177.704 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1916 ' ' ILE . . . . . 0.555 HG13 ' O ' ' A' 1912 ' ' ILE . 90.2 mt -52.52 -59.43 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 O-C-N 123.473 0.483 . . . . 0.0 111.393 -179.224 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1917 ' ' LYS . . . . . 0.589 ' HA ' HG22 ' A' 1920 ' ' VAL . 0.0 OUTLIER -71.02 -36.2 72.3 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 120.591 -0.444 . . . . 0.0 111.122 -178.968 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A 1918 ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -56.9 -41.32 77.89 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.689 0.281 . . . . 0.0 111.519 179.838 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1919 ' ' ARG . . . . . 0.477 ' HG2' ' O ' ' A' 1915 ' ' HIS . 31.6 mmt180 -76.9 -43.61 35.05 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.564 -0.289 . . . . 0.0 111.209 -178.197 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1920 ' ' VAL . . . . . 0.589 HG22 ' HA ' ' A' 1917 ' ' LYS . 28.8 m -71.89 -31.55 41.29 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.212 0 C-N-CA 120.958 -0.297 . . . . 0.0 111.507 -177.675 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1921 ' ' GLN . . . . . 0.545 ' HB2' ' O ' ' A' 1917 ' ' LYS . 0.0 OUTLIER -65.64 -44.64 85.79 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 109.145 -0.687 . . . . 0.0 109.145 177.369 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A 1922 ' ' GLU . . . . . 0.794 ' HB3' ' HD3' ' A' 1960 ' ' LYS . 12.8 mm-40 -69.16 -31.56 70.3 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.305 -0.861 . . . . 0.0 111.17 176.326 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1923 ' ' LEU . . . . . 0.438 ' HB2' ' HA ' ' A' 1920 ' ' VAL . 21.3 mt -65.48 -29.5 70.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.357 173.709 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1924 ' ' GLY . . . . . . . . . . . . . . . -62.15 -47.27 90.94 Favored Glycine 0 N--CA 1.447 -0.604 0 C-N-CA 120.824 -0.703 . . . . 0.0 111.416 174.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1925 ' ' HIS . . . . . . . . . . . . . 35.9 m170 -58.99 -47.17 86.12 Favored 'General case' 0 CA--C 1.519 -0.219 0 CA-C-O 120.939 0.399 . . . . 0.0 110.229 176.592 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1926 ' ' GLY . . . . . . . . . . . . . . . -62.29 -47.28 90.79 Favored Glycine 0 N--CA 1.449 -0.494 0 C-N-CA 120.883 -0.675 . . . . 0.0 112.211 179.701 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1927 ' ' CYS . . . . . 0.443 ' SG ' HD21 ' A' 1889 ' ' LEU . 38.9 t -58.9 -51.29 70.67 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.59 0.233 . . . . 0.0 110.672 178.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1928 ' ' SER . . . . . . . . . . . . . 20.4 t -63.01 -39.74 95.67 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.905 -176.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1929 ' ' ALA . . . . . . . . . . . . . . . -69.49 -45.74 68.25 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.614 0.245 . . . . 0.0 110.901 178.816 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1930 ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -59.71 -48.63 80.92 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.703 -178.757 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1931 ' ' VAL . . . . . . . . . . . . . 32.7 m -64.66 -31.47 53.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 C-N-CA 121.074 -0.25 . . . . 0.0 111.229 -177.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1932 ' ' THR . . . . . . . . . . . . . 87.9 m -66.24 -42.47 88.56 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.029 0.442 . . . . 0.0 110.349 176.378 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1933 ' ' LYS . . . . . 0.417 ' HD3' ' HA ' ' A' 1933 ' ' LYS . 68.5 mmtt -73.05 -34.25 66.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.027 179.005 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1934 ' ' ALA . . . . . . . . . . . . . . . -60.73 -47.83 84.53 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 110.132 -0.321 . . . . 0.0 110.132 175.58 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1935 ' ' GLY . . . . . . . . . . . . . . . -69.62 -31.22 70.61 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.98 -0.628 . . . . 0.0 112.366 178.028 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1936 ' ' ALA . . . . . . . . . . . . . . . -67.14 -49.39 65.01 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.769 0.319 . . . . 0.0 110.907 178.484 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1937 ' ' LEU . . . . . 0.482 ' HB2' HG23 ' A' 1946 ' ' THR . 43.8 tp -67.4 -31.07 71.04 Favored 'General case' 0 CA--C 1.514 -0.433 0 CA-C-O 121.296 0.57 . . . . 0.0 109.668 178.313 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1938 ' ' GLN . . . . . 0.423 ' HA ' ' HB2' ' A' 1879 ' ' PRO . 10.5 tt0 -57.26 -39.38 75.5 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.138 -0.937 . . . . 0.0 110.571 178.565 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1939 ' ' CYS . . . . . . . . . . . . . 47.5 m -87.14 -13.26 44.63 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.692 -0.686 . . . . 0.0 111.601 -178.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1940 ' ' SER . . . . . . . . . . . . . 50.4 m -149.96 88.01 4.92 Favored Pre-proline 0 C--N 1.327 -0.402 0 CA-C-O 120.75 0.31 . . . . 0.0 111.562 -177.379 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1941 ' ' PRO . . . . . 0.799 ' HB3' ' HG3' ' A' 1879 ' ' PRO . 60.7 Cg_endo -74.48 -11.19 22.47 Favored 'Trans proline' 0 C--O 1.233 0.268 0 C-N-CA 122.622 2.214 . . . . 0.0 112.587 -179.671 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1942 ' ' SER . . . . . . . . . . . . . 31.0 m -86.96 -5.26 59.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.299 -178.262 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1943 ' ' ASP . . . . . . . . . . . . . 18.1 t70 -94.08 106.23 18.21 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.838 0.351 . . . . 0.0 110.162 -179.719 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1944 ' ' VAL . . . . . 0.474 ' O ' ' HG2' ' A' 1948 ' ' LYS . 8.2 p -70.82 -34.01 54.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.372 -176.032 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1945 ' ' TYR . . . . . 0.432 ' O ' ' HG3' ' A' 1949 ' ' GLU . 47.0 m-85 -59.21 -48.31 82.08 Favored 'General case' 0 CA--C 1.518 -0.274 0 CA-C-O 120.593 0.235 . . . . 0.0 111.024 -177.805 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1946 ' ' THR . . . . . 0.482 HG23 ' HB2' ' A' 1937 ' ' LEU . 88.5 m -57.31 -41.28 79.57 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.035 178.661 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1947 ' ' LYS . . . . . . . . . . . . . 27.4 ttpt -67.27 -42.72 83.38 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 110.137 -0.32 . . . . 0.0 110.137 179.055 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1948 ' ' LYS . . . . . 0.474 ' HG2' ' O ' ' A' 1944 ' ' VAL . 9.3 mmpt? -58.31 -50.83 72.24 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.24 -0.436 . . . . 0.0 109.883 178.242 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1949 ' ' GLU . . . . . 0.432 ' HG3' ' O ' ' A' 1945 ' ' TYR . 37.5 mt-10 -62.34 -28.53 69.81 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.344 -178.709 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1950 ' ' LEU . . . . . . . . . . . . . 7.0 tt -62.89 -48.66 78.0 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 177.893 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1951 ' ' ILE . . . . . 0.522 HG13 ' HB ' ' A' 1872 ' ' VAL . 1.9 mp -64.72 -45.25 95.77 Favored 'Isoleucine or valine' 0 C--O 1.235 0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.197 175.566 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1952 ' ' GLU . . . . . 0.409 ' O ' ' HG3' ' A' 1956 ' ' ARG . 17.7 mm-40 -61.42 -26.76 68.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.784 -0.644 . . . . 0.0 112.09 -177.901 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1953 ' ' CYS . . . . . . . . . . . . . 10.2 t -86.38 -40.76 15.09 Favored 'General case' 0 C--N 1.322 -0.6 0 C-N-CA 121.054 -0.259 . . . . 0.0 110.419 179.432 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1954 ' ' ALA . . . . . . . . . . . . . . . -62.47 -42.45 99.49 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.25 -179.171 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1955 ' ' ARG . . . . . 0.411 HH11 ' HD3' ' A' 1955 ' ' ARG . 0.0 OUTLIER -62.72 -23.44 67.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.047 0.451 . . . . 0.0 110.75 -179.677 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A 1956 ' ' ARG . . . . . 0.409 ' HG3' ' O ' ' A' 1952 ' ' GLU . 64.3 mtp180 -73.99 -39.12 63.87 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.622 178.018 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1957 ' ' VAL . . . . . 0.614 ' O ' HG13 ' A' 1961 ' ' VAL . 8.8 m -86.32 -30.07 6.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.692 -174.181 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1958 ' ' SER . . . . . 0.448 ' O ' HG22 ' A' 1961 ' ' VAL . 15.5 p -65.94 -32.05 73.32 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.399 0.618 . . . . 0.0 110.476 179.526 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1959 ' ' GLU . . . . . . . . . . . . . 30.7 mm-40 -79.98 -28.66 39.5 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.296 0.569 . . . . 0.0 109.973 173.544 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1960 ' ' LYS . . . . . 0.794 ' HD3' ' HB3' ' A' 1922 ' ' GLU . 27.5 ttmt -74.79 -35.92 62.5 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.549 -0.75 . . . . 0.0 110.476 -176.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1961 ' ' VAL . . . . . 0.773 HG23 ' HB2' ' A' 1865 ' ' ALA . 14.8 m -66.22 -33.54 64.18 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.156 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 174.124 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1962 ' ' SER . . . . . 0.457 ' HA ' HD13 ' A' 1965 ' ' LEU . 44.5 m -68.37 -26.31 65.52 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.09 177.743 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1963 ' ' HIS . . . . . . . . . . . . . 60.1 m170 -76.61 -25.04 53.46 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.213 177.625 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1964 ' ' VAL . . . . . 0.553 ' O ' HD23 ' A' 1968 ' ' LEU . 91.3 t -68.88 -45.97 79.87 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.259 0 N-CA-C 108.796 -0.816 . . . . 0.0 108.796 171.027 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1965 ' ' LEU . . . . . 0.558 ' HG ' ' O ' ' A' 1961 ' ' VAL . 49.0 mt -53.39 -46.79 69.82 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.165 -0.925 . . . . 0.0 110.745 179.257 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1966 ' ' ALA . . . . . . . . . . . . . . . -71.62 -39.14 70.64 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.851 179.883 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1967 ' ' ALA . . . . . . . . . . . . . . . -59.6 -43.35 93.75 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-O 120.874 0.369 . . . . 0.0 111.94 -176.5 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1968 ' ' LEU . . . . . 0.654 ' HB3' ' HG3' ' A' 1854 ' ' GLN . 4.0 mm? -74.2 -19.15 60.63 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.947 -176.914 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1969 ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 . . . . . 0 C--N 1.326 -0.428 0 CA-C-O 120.983 0.42 . . . . 0.0 110.345 179.991 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A 1850 ' ' PHE . . . . . . . . . . . . . 77.9 t80 . . . . . 0 N--CA 1.452 -0.333 0 N-CA-C 108.726 -0.842 . . . . 0.0 108.726 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A 1851 ' ' VAL . . . . . . . . . . . . . 19.6 t -56.55 -44.61 81.17 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.918 0 CA-C-N 115.076 -0.965 . . . . 0.0 110.451 173.036 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1852 ' ' ASP . . . . . . . . . . . . . 15.2 t70 -59.82 -49.71 76.64 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.89 -0.595 . . . . 0.0 111.132 177.244 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1853 ' ' TYR . . . . . 0.487 ' O ' ' HG2' ' A' 1857 ' ' MET . 24.8 m-85 -63.28 -41.88 99.04 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.566 -179.713 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1854 ' ' GLN . . . . . 0.89 ' HG3' ' HB3' ' A' 1968 ' ' LEU . 6.2 tt0 -56.93 -57.1 13.98 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.646 176.909 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1855 ' ' THR . . . . . 0.56 ' O ' ' HG2' ' A' 1859 ' ' ARG . 35.0 m -57.19 -44.2 83.39 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.732 -0.667 . . . . 0.0 112.239 -174.647 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1856 ' ' THR . . . . . 0.512 HG23 ' N ' ' A' 1857 ' ' MET . 14.2 t -62.41 -45.08 94.73 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 120.971 -0.292 . . . . 0.0 111.688 -175.343 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1857 ' ' MET . . . . . 0.512 ' N ' HG23 ' A' 1856 ' ' THR . 11.9 ptm -82.38 -24.08 34.65 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 120.722 -0.391 . . . . 0.0 111.792 -174.936 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1858 ' ' VAL . . . . . 0.454 HG12 ' O ' ' A' 1854 ' ' GLN . 27.4 m -73.42 -34.86 44.24 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.17 0 C-N-CA 119.799 -0.761 . . . . 0.0 109.986 174.937 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1859 ' ' ARG . . . . . 0.56 ' HG2' ' O ' ' A' 1855 ' ' THR . 37.0 mmt180 -61.55 -40.89 96.34 Favored 'General case' 0 N--CA 1.463 0.216 0 N-CA-C 109.255 -0.646 . . . . 0.0 109.255 172.636 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1860 ' ' THR . . . . . . . . . . . . . 32.8 m -66.3 -42.85 87.73 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.046 -0.979 . . . . 0.0 111.202 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1861 ' ' ALA . . . . . . . . . . . . . . . -59.4 -42.1 90.98 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.962 0.411 . . . . 0.0 110.76 178.585 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1862 ' ' LYS . . . . . . . . . . . . . 50.8 mttm -66.35 -38.19 87.04 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.303 178.111 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1863 ' ' ALA . . . . . . . . . . . . . . . -66.7 -38.01 85.87 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.775 177.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1864 ' ' ILE . . . . . 0.555 ' O ' HG11 ' A' 1868 ' ' VAL . 68.3 mt -64.39 -47.81 87.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.123 175.375 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1865 ' ' ALA . . . . . 0.74 ' HB1' HG22 ' A' 1961 ' ' VAL . . . -57.28 -49.52 75.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.973 -178.598 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1866 ' ' VAL . . . . . . . . . . . . . 12.3 p -64.58 -27.52 42.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 C-N-CA 120.787 -0.365 . . . . 0.0 110.67 -179.007 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1867 ' ' THR . . . . . 0.643 ' O ' ' HG3' ' A' 1871 ' ' MET . 85.4 m -66.51 -51.4 57.1 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-N 116.548 -0.296 . . . . 0.0 110.572 176.192 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1868 ' ' VAL . . . . . 0.555 HG11 ' O ' ' A' 1864 ' ' ILE . 1.6 m -65.17 -29.64 47.91 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.186 0 CA-C-O 121.745 0.784 . . . . 0.0 109.9 -178.835 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1869 ' ' GLN . . . . . . . . . . . . . 7.3 tp-100 -74.25 -27.04 60.57 Favored 'General case' 0 N--CA 1.425 -1.722 0 CA-C-N 114.779 -1.101 . . . . 0.0 110.225 179.853 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1870 ' ' GLU . . . . . 0.511 ' O ' ' HG2' ' A' 1874 ' ' LYS . 30.7 mt-10 -74.61 -39.62 62.05 Favored 'General case' 0 C--O 1.221 -0.406 0 N-CA-C 109.726 -0.472 . . . . 0.0 109.726 169.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1871 ' ' MET . . . . . 0.643 ' HG3' ' O ' ' A' 1867 ' ' THR . 43.4 mtp -56.03 -42.1 75.98 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.207 -177.643 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1872 ' ' VAL . . . . . 0.42 HG11 ' HA ' ' A' 1951 ' ' ILE . 15.6 m -72.31 -32.15 41.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.785 0.326 . . . . 0.0 111.47 177.643 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1873 ' ' THR . . . . . . . . . . . . . 90.0 m -71.94 -38.11 69.87 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.218 0.533 . . . . 0.0 110.38 178.254 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1874 ' ' LYS . . . . . 0.511 ' HG2' ' O ' ' A' 1870 ' ' GLU . 73.0 mmtt -68.49 -61.02 2.01 Favored 'General case' 0 C--O 1.214 -0.764 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.333 175.437 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1875 ' ' SER . . . . . . . . . . . . . 19.7 p -49.24 -28.91 5.06 Favored 'General case' 0 N--CA 1.472 0.637 0 N-CA-C 113.715 1.006 . . . . 0.0 113.715 -169.718 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1876 ' ' ASN . . . . . 0.409 ' HA ' ' HD2' ' A' 1947 ' ' LYS . 7.7 m-80 -58.37 -41.7 85.34 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 111.654 0.242 . . . . 0.0 111.654 178.637 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1877 ' ' THR . . . . . . . . . . . . . 53.1 p -121.51 -23.31 5.66 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.419 0.628 . . . . 0.0 111.539 -177.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1878 ' ' SER . . . . . . . . . . . . . 12.6 m -122.63 105.32 35.86 Favored Pre-proline 0 N--CA 1.439 -1.001 0 CA-C-N 115.237 -0.892 . . . . 0.0 111.853 -166.305 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1879 ' ' PRO . . . . . 0.473 ' HA ' HD11 ' A' 1882 ' ' LEU . 6.3 Cg_exo -79.85 -31.78 1.75 Allowed 'Trans proline' 0 N--CA 1.454 -0.837 0 C-N-CA 122.444 2.096 . . . . 0.0 111.167 172.608 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1880 ' ' GLU . . . . . . . . . . . . . 19.9 mt-10 -71.23 -41.91 69.56 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.041 -0.981 . . . . 0.0 111.118 -172.259 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1881 ' ' GLU . . . . . 0.441 ' CB ' ' HD2' ' A' 1874 ' ' LYS . 12.3 mm-40 -62.42 -14.96 46.28 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.534 -0.757 . . . . 0.0 111.814 -177.711 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1882 ' ' LEU . . . . . 0.473 HD11 ' HA ' ' A' 1879 ' ' PRO . 50.2 mt -76.32 -16.93 59.66 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.647 -177.141 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1883 ' ' GLY . . . . . 0.407 ' HA2' ' NE2' ' A' 1938 ' ' GLN . . . -64.72 -61.65 5.71 Favored Glycine 0 N--CA 1.453 -0.188 0 C-N-CA 120.818 -0.706 . . . . 0.0 112.684 178.925 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1884 ' ' PRO . . . . . . . . . . . . . 16.1 Cg_endo -59.4 -33.18 97.49 Favored 'Trans proline' 0 N--CA 1.461 -0.395 0 C-N-CA 122.449 2.099 . . . . 0.0 112.255 177.746 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1885 ' ' LEU . . . . . 0.405 ' HB3' ' HG2' ' A' 1871 ' ' MET . 69.6 mt -70.41 -41.63 72.7 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 111.843 0.312 . . . . 0.0 111.843 -178.387 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1886 ' ' ALA . . . . . . . . . . . . . . . -62.82 -43.33 99.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.189 0.519 . . . . 0.0 110.404 179.071 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1887 ' ' ASN . . . . . . . . . . . . . 86.6 m-20 -65.47 -39.84 92.46 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.02 175.685 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1888 ' ' GLN . . . . . . . . . . . . . 31.1 tp60 -63.15 -48.11 79.86 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.283 -178.602 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1889 ' ' LEU . . . . . 0.474 HD13 ' SD ' ' A' 1871 ' ' MET . 0.7 OUTLIER -58.16 -47.82 82.2 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.412 0.625 . . . . 0.0 109.317 177.968 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A 1890 ' ' THR . . . . . . . . . . . . . 87.1 m -58.19 -41.99 85.14 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.272 -0.876 . . . . 0.0 111.454 179.752 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1891 ' ' SER . . . . . . . . . . . . . 50.7 m -64.63 -48.64 74.12 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.516 -179.46 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1892 ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -71.85 -27.76 63.1 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 112.156 0.428 . . . . 0.0 112.156 -174.659 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1893 ' ' TYR . . . . . . . . . . . . . 44.9 t80 -61.09 -38.41 86.2 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.382 -0.527 . . . . 0.0 110.44 176.673 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1894 ' ' GLY . . . . . . . . . . . . . . . -63.27 -33.63 87.78 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.813 -0.708 . . . . 0.0 111.872 177.154 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1895 ' ' ARG . . . . . . . . . . . . . 34.4 ttm180 -69.02 -37.45 78.64 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.11 0.481 . . . . 0.0 110.361 176.587 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1896 ' ' LEU . . . . . 0.486 HD12 HG13 ' A' 1964 ' ' VAL . 57.1 tp -71.43 -53.17 14.9 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.451 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1897 ' ' ALA . . . . . . . . . . . . . . . -63.71 -24.83 67.93 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.925 -0.58 . . . . 0.0 112.234 -173.385 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1898 ' ' SER . . . . . . . . . . . . . 8.8 p -79.87 -24.8 40.98 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.757 0.313 . . . . 0.0 111.001 -176.27 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1899 ' ' GLN . . . . . 0.478 ' HA ' ' OE1' ' A' 1899 ' ' GLN . 12.2 mm-40 -83.81 -11.64 56.75 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.589 179.873 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1900 ' ' ALA . . . . . . . . . . . . . . . -67.68 -24.17 65.38 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.681 176.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1901 ' ' LYS . . . . . 0.7 ' HB3' ' HD3' ' A' 1902 ' ' PRO . 24.1 tptm -75.22 -56.55 1.92 Allowed Pre-proline 0 CA--C 1.542 0.659 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.609 -178.767 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1902 ' ' PRO . . . . . 0.7 ' HD3' ' HB3' ' A' 1901 ' ' LYS . 23.3 Cg_exo -64.98 -30.25 57.06 Favored 'Trans proline' 0 C--N 1.358 1.073 0 C-N-CA 121.986 1.791 . . . . 0.0 112.156 -179.867 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1903 ' ' ALA . . . . . . . . . . . . . . . -70.57 -27.0 63.8 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.685 178.691 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1904 ' ' ALA . . . . . . . . . . . . . . . -77.42 -36.14 53.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.644 -178.435 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1905 ' ' VAL . . . . . . . . . . . . . 34.4 m -83.63 -9.07 11.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.184 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1906 ' ' ALA . . . . . . . . . . . . . . . -107.87 1.58 22.83 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.208 0.528 . . . . 0.0 110.594 176.305 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1907 ' ' ALA . . . . . 0.446 ' HB2' ' HB ' ' A' 1912 ' ' ILE . . . -72.04 119.71 16.61 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.894 -179.453 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1908 ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -67.41 -43.53 81.04 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.226 0.536 . . . . 0.0 110.533 179.233 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1909 ' ' ASN . . . . . 0.76 ' HB2' HG13 ' A' 1912 ' ' ILE . 0.9 OUTLIER -97.39 156.2 16.57 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.552 -177.508 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A 1910 ' ' GLU . . . . . . . . . . . . . 30.9 tt0 -62.33 -51.94 65.64 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.969 -179.726 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1911 ' ' GLU . . . . . 0.433 ' HB3' ' CD2' ' A' 1915 ' ' HIS . 32.3 mt-10 -65.25 -28.25 69.22 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.711 -0.677 . . . . 0.0 112.387 -174.19 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1912 ' ' ILE . . . . . 0.76 HG13 ' HB2' ' A' 1909 ' ' ASN . 37.5 mt -56.85 -54.6 27.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 C-N-CA 120.37 -0.532 . . . . 0.0 110.004 -179.762 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1913 ' ' GLY . . . . . . . . . . . . . . . -65.56 -27.89 73.04 Favored Glycine 0 N--CA 1.453 -0.222 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.228 179.656 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1914 ' ' ALA . . . . . . . . . . . . . . . -71.43 -49.57 40.35 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.871 0.367 . . . . 0.0 110.206 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1915 ' ' HIS . . . . . 0.662 ' O ' ' HG2' ' A' 1919 ' ' ARG . 90.0 m-70 -65.92 -39.97 91.03 Favored 'General case' 0 N--CA 1.449 -0.503 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.156 -176.756 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1916 ' ' ILE . . . . . 0.573 HG13 ' O ' ' A' 1912 ' ' ILE . 99.1 mt -54.01 -57.96 4.6 Favored 'Isoleucine or valine' 0 C--O 1.235 0.298 0 CA-C-O 120.744 0.307 . . . . 0.0 111.373 179.837 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1917 ' ' LYS . . . . . . . . . . . . . 52.3 mtmt -67.03 -24.26 65.98 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.033 0.444 . . . . 0.0 111.177 -177.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1918 ' ' HIS . . . . . . . . . . . . . 32.9 t-80 -72.6 -48.68 37.77 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.604 179.38 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1919 ' ' ARG . . . . . 0.841 ' HD2' ' HB3' ' A' 1963 ' ' HIS . 28.4 mmt180 -69.68 -34.46 73.98 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.478 -173.135 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1920 ' ' VAL . . . . . . . . . . . . . 33.1 m -72.74 -24.86 21.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 121.088 0.471 . . . . 0.0 110.684 178.374 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1921 ' ' GLN . . . . . . . . . . . . . 10.1 tt0 -73.17 -34.09 65.82 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-O 121.161 0.505 . . . . 0.0 109.639 177.284 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1922 ' ' GLU . . . . . . . . . . . . . 53.7 mt-10 -61.3 -46.02 92.06 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.039 175.205 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1923 ' ' LEU . . . . . 0.674 ' HG ' ' HB3' ' A' 1960 ' ' LYS . 18.5 mt -64.15 -30.25 71.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.008 177.701 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1924 ' ' GLY . . . . . . . . . . . . . . . -57.2 -38.56 86.86 Favored Glycine 0 N--CA 1.453 -0.202 0 C-N-CA 120.999 -0.62 . . . . 0.0 112.214 178.659 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1925 ' ' HIS . . . . . . . . . . . . . 30.6 m170 -71.27 -54.39 11.06 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.032 0.444 . . . . 0.0 110.204 177.783 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1926 ' ' GLY . . . . . 0.429 ' HA3' HG13 ' A' 1957 ' ' VAL . . . -62.32 -44.84 97.1 Favored Glycine 0 N--CA 1.45 -0.43 0 CA-C-N 115.518 -0.765 . . . . 0.0 113.45 -174.674 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1927 ' ' CYS . . . . . . . . . . . . . 65.9 m -65.0 -41.88 95.0 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.886 0.343 . . . . 0.0 111.223 -176.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1928 ' ' SER . . . . . . . . . . . . . 9.6 t -67.87 -37.34 81.69 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.979 0.419 . . . . 0.0 110.386 -177.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1929 ' ' ALA . . . . . . . . . . . . . . . -72.1 -37.99 69.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.963 0.411 . . . . 0.0 110.619 177.651 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1930 ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -63.81 -49.86 71.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.757 -178.427 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1931 ' ' VAL . . . . . . . . . . . . . 29.6 m -64.79 -27.78 43.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.728 0.299 . . . . 0.0 111.239 -176.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1932 ' ' THR . . . . . . . . . . . . . 46.6 m -68.64 -43.88 75.35 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.866 0.365 . . . . 0.0 110.092 176.747 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1933 ' ' LYS . . . . . . . . . . . . . 43.4 mmtm -69.29 -37.53 77.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.685 176.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1934 ' ' ALA . . . . . . . . . . . . . . . -60.48 -44.1 96.27 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.542 176.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1935 ' ' GLY . . . . . . . . . . . . . . . -68.4 -39.37 87.43 Favored Glycine 0 N--CA 1.449 -0.494 0 C-N-CA 120.909 -0.662 . . . . 0.0 112.207 177.295 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1936 ' ' ALA . . . . . . . . . . . . . . . -64.27 -48.86 74.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.493 0.187 . . . . 0.0 111.233 -179.446 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1937 ' ' LEU . . . . . 0.493 HD23 ' HA ' ' A' 1947 ' ' LYS . 49.7 tp -68.37 -26.54 65.63 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.264 0.554 . . . . 0.0 110.101 179.111 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1938 ' ' GLN . . . . . 0.407 ' NE2' ' HA2' ' A' 1883 ' ' GLY . 6.1 tt0 -65.6 -43.85 88.37 Favored 'General case' 0 N--CA 1.445 -0.683 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.338 179.583 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1939 ' ' CYS . . . . . . . . . . . . . 27.8 p -85.33 -17.84 35.6 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.834 -179.772 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1940 ' ' SER . . . . . . . . . . . . . 48.6 m -136.49 87.76 21.17 Favored Pre-proline 0 C--N 1.325 -0.46 0 CA-C-O 120.836 0.35 . . . . 0.0 111.221 -177.028 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1941 ' ' PRO . . . . . . . . . . . . . 85.3 Cg_endo -86.53 0.83 7.85 Favored 'Trans proline' 0 N--CA 1.463 -0.292 0 C-N-CA 122.905 2.403 . . . . 0.0 113.214 -177.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1942 ' ' SER . . . . . . . . . . . . . 33.6 t -92.88 -1.1 57.04 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.084 0.469 . . . . 0.0 110.116 -179.828 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1943 ' ' ASP . . . . . . . . . . . . . 13.8 t70 -106.4 107.84 19.05 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.419 -179.017 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1944 ' ' VAL . . . . . . . . . . . . . 9.9 p -74.96 -24.22 17.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.676 -177.068 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1945 ' ' TYR . . . . . 0.471 ' O ' ' HG3' ' A' 1949 ' ' GLU . 91.5 m-85 -70.34 -41.95 72.53 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.478 -175.877 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1946 ' ' THR . . . . . 0.49 HG21 ' HB2' ' A' 1937 ' ' LEU . 80.7 m -56.71 -42.79 79.79 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.154 173.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1947 ' ' LYS . . . . . 0.493 ' HA ' HD23 ' A' 1937 ' ' LEU . 30.7 ttpt -63.49 -42.67 98.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.168 177.783 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1948 ' ' LYS . . . . . 0.66 ' O ' ' HG2' ' A' 1952 ' ' GLU . 9.6 mmpt? -59.42 -54.61 44.68 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.335 179.415 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1949 ' ' GLU . . . . . 0.471 ' HG3' ' O ' ' A' 1945 ' ' TYR . 37.3 mt-10 -59.43 -36.38 75.79 Favored 'General case' 0 N--CA 1.462 0.167 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.264 -176.012 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1950 ' ' LEU . . . . . . . . . . . . . 9.6 tt -57.02 -52.69 64.28 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.045 177.064 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1951 ' ' ILE . . . . . 0.42 ' HA ' HG11 ' A' 1872 ' ' VAL . 63.2 mt -68.35 -37.97 78.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.83 -177.77 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1952 ' ' GLU . . . . . 0.66 ' HG2' ' O ' ' A' 1948 ' ' LYS . 26.7 mm-40 -61.6 -30.46 70.7 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-O 121.022 0.439 . . . . 0.0 110.287 178.503 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1953 ' ' CYS . . . . . . . . . . . . . 12.2 t -85.41 -43.4 13.67 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.961 -179.183 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1954 ' ' ALA . . . . . 0.516 ' O ' HG23 ' A' 1957 ' ' VAL . . . -57.06 -39.86 75.73 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.01 -0.541 . . . . 0.0 112.171 -175.473 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1955 ' ' ARG . . . . . 0.459 HH11 ' HD2' ' A' 1955 ' ' ARG . 10.3 ptp85 -64.93 -25.42 67.87 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.879 0.371 . . . . 0.0 111.177 -178.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1956 ' ' ARG . . . . . . . . . . . . . 71.0 mtp180 -77.9 -40.11 40.9 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.739 -176.412 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1957 ' ' VAL . . . . . 0.577 ' O ' HG12 ' A' 1961 ' ' VAL . 12.4 m -67.58 -29.83 46.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 116.488 -0.324 . . . . 0.0 110.876 -175.845 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1958 ' ' SER . . . . . 0.697 ' O ' HG21 ' A' 1961 ' ' VAL . 3.0 m -61.74 -24.29 66.71 Favored 'General case' 0 CA--C 1.53 0.18 0 CA-C-O 121.127 0.489 . . . . 0.0 110.549 177.935 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1959 ' ' GLU . . . . . . . . . . . . . 60.9 mm-40 -73.32 -38.92 65.63 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.057 0.456 . . . . 0.0 109.912 175.572 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1960 ' ' LYS . . . . . 0.674 ' HB3' ' HG ' ' A' 1923 ' ' LEU . 4.3 mptp? -69.09 -30.1 68.32 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.83 -177.91 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1961 ' ' VAL . . . . . 0.74 HG22 ' HB1' ' A' 1865 ' ' ALA . 1.9 m -66.08 -35.26 74.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 N-CA-C 109.44 -0.578 . . . . 0.0 109.44 176.916 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1962 ' ' SER . . . . . 0.581 ' HA ' HD11 ' A' 1965 ' ' LEU . 45.0 t -73.1 -29.05 62.63 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-N 115.581 -0.736 . . . . 0.0 109.363 175.745 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1963 ' ' HIS . . . . . 0.841 ' HB3' ' HD2' ' A' 1919 ' ' ARG . 50.0 m170 -67.24 -38.19 84.78 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.25 177.301 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1964 ' ' VAL . . . . . 0.486 HG13 HD12 ' A' 1896 ' ' LEU . 88.1 t -62.35 -44.17 98.92 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.317 0 N-CA-C 109.553 -0.536 . . . . 0.0 109.553 173.659 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1965 ' ' LEU . . . . . 0.595 ' HG ' ' O ' ' A' 1961 ' ' VAL . 70.7 mt -55.93 -46.34 78.52 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.771 178.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1966 ' ' ALA . . . . . . . . . . . . . . . -74.52 -27.72 60.66 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.766 -179.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1967 ' ' ALA . . . . . . . . . . . . . . . -70.16 -40.17 74.88 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.952 0.406 . . . . 0.0 110.822 179.786 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1968 ' ' LEU . . . . . 0.89 ' HB3' ' HG3' ' A' 1854 ' ' GLN . 4.4 mm? -77.64 -38.63 47.47 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.883 179.383 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1969 ' ' GLN . . . . . . . . . . . . . 48.6 mt-30 . . . . . 0 C--O 1.235 0.291 0 CA-C-O 121.292 0.568 . . . . 0.0 110.613 179.113 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A 1850 ' ' PHE . . . . . . . . . . . . . 73.6 t80 . . . . . 0 N--CA 1.455 -0.219 0 CA-C-O 120.969 0.414 . . . . 0.0 110.382 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A 1851 ' ' VAL . . . . . . . . . . . . . 3.5 m -66.15 -27.48 40.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.866 -0.607 . . . . 0.0 111.17 -177.682 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1852 ' ' ASP . . . . . . . . . . . . . 19.4 m-20 -63.24 -56.45 16.52 Favored 'General case' 0 CA--C 1.518 -0.264 0 CA-C-O 121.45 0.643 . . . . 0.0 109.912 179.312 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1853 ' ' TYR . . . . . 0.571 ' O ' ' HG2' ' A' 1857 ' ' MET . 35.4 m-85 -70.44 -35.28 73.27 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.122 -0.945 . . . . 0.0 110.193 -178.236 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1854 ' ' GLN . . . . . 0.827 ' HG3' ' HB3' ' A' 1968 ' ' LEU . 50.6 tt0 -52.83 -53.48 47.98 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.736 176.907 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1855 ' ' THR . . . . . 0.457 ' O ' ' HG2' ' A' 1859 ' ' ARG . 32.8 m -61.23 -42.86 99.35 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.792 -0.64 . . . . 0.0 112.102 -174.4 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1856 ' ' THR . . . . . 0.481 HG23 ' N ' ' A' 1857 ' ' MET . 9.2 t -69.91 -47.05 63.97 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 112.141 0.423 . . . . 0.0 112.141 -173.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1857 ' ' MET . . . . . 0.571 ' HG2' ' O ' ' A' 1853 ' ' TYR . 12.2 ptm -77.06 -23.61 51.98 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 120.783 -0.367 . . . . 0.0 111.843 -172.465 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1858 ' ' VAL . . . . . 0.437 HG13 ' O ' ' A' 1854 ' ' GLN . 25.7 m -72.75 -31.7 37.75 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.11 0 C-N-CA 119.772 -0.771 . . . . 0.0 109.613 173.507 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1859 ' ' ARG . . . . . 0.539 ' HA ' ' HD2' ' A' 1862 ' ' LYS . 23.5 mmm180 -71.74 -38.94 70.38 Favored 'General case' 0 C--N 1.332 -0.168 0 N-CA-C 109.741 -0.466 . . . . 0.0 109.741 174.94 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1860 ' ' THR . . . . . . . . . . . . . 31.8 m -62.73 -41.42 99.16 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.447 177.298 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1861 ' ' ALA . . . . . . . . . . . . . . . -59.8 -40.53 88.69 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.922 177.748 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1862 ' ' LYS . . . . . 0.539 ' HD2' ' HA ' ' A' 1859 ' ' ARG . 44.0 mttm -64.86 -39.47 93.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.413 177.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1863 ' ' ALA . . . . . . . . . . . . . . . -64.33 -38.78 92.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.556 177.711 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1864 ' ' ILE . . . . . 0.611 ' O ' HG13 ' A' 1868 ' ' VAL . 79.2 mt -64.78 -48.5 84.24 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.031 174.615 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1865 ' ' ALA . . . . . 0.77 ' HB2' HG23 ' A' 1961 ' ' VAL . . . -56.29 -45.92 80.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.907 -0.588 . . . . 0.0 112.285 -177.853 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1866 ' ' VAL . . . . . . . . . . . . . 13.1 p -67.59 -32.03 55.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 C-N-CA 120.759 -0.376 . . . . 0.0 110.31 -179.411 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1867 ' ' THR . . . . . 0.667 ' O ' ' HG3' ' A' 1871 ' ' MET . 96.0 m -66.12 -50.65 63.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.538 178.232 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1868 ' ' VAL . . . . . 0.611 HG13 ' O ' ' A' 1864 ' ' ILE . 2.1 m -62.1 -30.73 49.37 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.233 0 CA-C-O 121.504 0.669 . . . . 0.0 110.053 -179.492 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1869 ' ' GLN . . . . . . . . . . . . . 9.0 tp-100 -76.08 -27.86 57.34 Favored 'General case' 0 N--CA 1.425 -1.721 0 CA-C-N 115.143 -0.935 . . . . 0.0 110.291 -179.009 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1870 ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -75.84 -40.05 55.53 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.132 172.144 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1871 ' ' MET . . . . . 0.667 ' HG3' ' O ' ' A' 1867 ' ' THR . 60.9 mtp -58.04 -45.62 86.7 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.989 -178.37 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1872 ' ' VAL . . . . . 0.451 ' HB ' HG13 ' A' 1951 ' ' ILE . 28.9 m -69.79 -33.62 56.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.432 179.389 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1873 ' ' THR . . . . . . . . . . . . . 89.4 m -68.37 -51.04 48.66 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.0 0.429 . . . . 0.0 110.384 177.109 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1874 ' ' LYS . . . . . . . . . . . . . 71.0 mmtt -62.34 -34.92 77.58 Favored 'General case' 0 C--O 1.217 -0.628 0 CA-C-N 115.46 -0.791 . . . . 0.0 111.689 -176.589 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1875 ' ' SER . . . . . . . . . . . . . 93.2 p -55.58 -20.39 13.34 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 112.702 0.63 . . . . 0.0 112.702 -173.404 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1876 ' ' ASN . . . . . . . . . . . . . 48.1 m-80 -84.9 -24.3 28.53 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 111.522 0.194 . . . . 0.0 111.522 -177.459 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1877 ' ' THR . . . . . . . . . . . . . 50.0 p -120.29 -28.6 5.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.202 0.525 . . . . 0.0 111.818 -177.358 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1878 ' ' SER . . . . . 0.447 ' O ' HD12 ' A' 1882 ' ' LEU . 4.7 m -134.84 116.09 12.43 Favored Pre-proline 0 CA--C 1.506 -0.721 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.685 -171.678 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1879 ' ' PRO . . . . . 0.749 ' HA ' HD12 ' A' 1882 ' ' LEU . 6.2 Cg_exo -82.15 -29.21 1.66 Allowed 'Trans proline' 0 N--CA 1.445 -1.35 0 C-N-CA 121.93 1.754 . . . . 0.0 110.286 162.204 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1880 ' ' GLU . . . . . . . . . . . . . 69.0 mm-40 -56.56 -58.09 9.56 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.023 -0.989 . . . . 0.0 112.079 -176.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1881 ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -61.27 -13.91 22.34 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-N 116.155 -0.475 . . . . 0.0 112.261 -177.673 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1882 ' ' LEU . . . . . 0.749 HD12 ' HA ' ' A' 1879 ' ' PRO . 9.6 mt -72.7 -22.81 60.84 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 112.083 0.401 . . . . 0.0 112.083 -175.852 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1883 ' ' GLY . . . . . . . . . . . . . . . -66.14 -60.74 6.09 Favored Glycine 0 CA--C 1.517 0.197 0 C-N-CA 120.704 -0.76 . . . . 0.0 111.998 178.69 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1884 ' ' PRO . . . . . . . . . . . . . 11.3 Cg_endo -57.13 -37.37 98.36 Favored 'Trans proline' 0 C--N 1.346 0.417 0 C-N-CA 122.503 2.135 . . . . 0.0 112.428 175.507 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1885 ' ' LEU . . . . . 0.624 ' HB3' ' HG2' ' A' 1871 ' ' MET . 38.4 mt -61.51 -41.4 97.25 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-O 120.556 0.217 . . . . 0.0 111.38 179.494 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1886 ' ' ALA . . . . . . . . . . . . . . . -63.72 -45.81 88.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.977 0.418 . . . . 0.0 110.626 178.029 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1887 ' ' ASN . . . . . . . . . . . . . 57.8 t30 -63.94 -38.0 89.48 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.086 177.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1888 ' ' GLN . . . . . . . . . . . . . 31.6 tp60 -62.26 -50.65 70.87 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.343 -0.844 . . . . 0.0 111.059 -179.314 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1889 ' ' LEU . . . . . 0.58 HD21 ' SG ' ' A' 1927 ' ' CYS . 1.3 tt -57.65 -43.33 84.84 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 178.526 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1890 ' ' THR . . . . . . . . . . . . . 87.1 m -60.92 -45.03 96.27 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.277 -0.874 . . . . 0.0 111.904 -178.237 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1891 ' ' SER . . . . . . . . . . . . . 63.0 m -68.3 -44.2 75.97 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 111.945 0.35 . . . . 0.0 111.945 -177.05 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1892 ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -67.22 -29.33 68.95 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.993 -0.283 . . . . 0.0 111.287 -178.692 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1893 ' ' TYR . . . . . . . . . . . . . 50.1 t80 -61.39 -37.71 84.41 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 120.919 -0.312 . . . . 0.0 110.428 174.657 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1894 ' ' GLY . . . . . . . . . . . . . . . -60.23 -37.61 93.25 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.897 -0.668 . . . . 0.0 111.684 178.522 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1895 ' ' ARG . . . . . 0.463 ' O ' ' HG2' ' A' 1899 ' ' GLN . 73.3 ttt180 -66.26 -46.67 76.28 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.018 0.437 . . . . 0.0 110.179 176.23 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1896 ' ' LEU . . . . . 0.442 HD11 ' HB2' ' A' 1857 ' ' MET . 49.9 tp -57.08 -48.83 77.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.469 -0.787 . . . . 0.0 111.283 179.401 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1897 ' ' ALA . . . . . . . . . . . . . . . -63.96 -24.24 67.65 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.607 -178.059 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1898 ' ' SER . . . . . . . . . . . . . 44.9 t -80.44 -19.91 45.03 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.021 0.438 . . . . 0.0 110.099 -177.249 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1899 ' ' GLN . . . . . 0.463 ' HG2' ' O ' ' A' 1895 ' ' ARG . 62.6 mm-40 -89.15 -24.16 22.27 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.85 -0.614 . . . . 0.0 109.835 178.92 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1900 ' ' ALA . . . . . . . . . . . . . . . -65.24 -36.32 83.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.648 -178.524 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1901 ' ' LYS . . . . . 0.65 ' HB3' ' HD3' ' A' 1902 ' ' PRO . 0.4 OUTLIER -62.4 -58.24 18.33 Favored Pre-proline 0 CA--C 1.541 0.613 0 CA-C-N 116.416 -0.357 . . . . 0.0 111.702 -179.297 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A 1902 ' ' PRO . . . . . 0.65 ' HD3' ' HB3' ' A' 1901 ' ' LYS . 7.9 Cg_exo -72.34 -26.08 17.74 Favored 'Trans proline' 0 C--N 1.352 0.739 0 C-N-CA 121.778 1.652 . . . . 0.0 112.522 -176.94 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1903 ' ' ALA . . . . . . . . . . . . . . . -68.47 -31.23 70.36 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.978 0.418 . . . . 0.0 110.658 178.719 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1904 ' ' ALA . . . . . . . . . . . . . . . -71.35 -30.06 65.72 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.451 -177.708 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1905 ' ' VAL . . . . . . . . . . . . . 28.8 m -96.42 -13.06 8.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.828 178.548 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1906 ' ' ALA . . . . . . . . . . . . . . . -78.18 -37.5 45.61 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.092 176.552 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1907 ' ' ALA . . . . . . . . . . . . . . . -71.82 146.72 47.82 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.113 175.726 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1908 ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -97.71 -12.75 21.98 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 120.931 0.396 . . . . 0.0 110.275 -179.644 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1909 ' ' ASN . . . . . . . . . . . . . 46.4 t-20 -96.52 136.08 37.53 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.048 -0.524 . . . . 0.0 109.931 177.573 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1910 ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -55.37 -53.16 59.63 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.607 -0.724 . . . . 0.0 111.162 178.413 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1911 ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -60.04 -44.2 94.83 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.858 -172.779 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1912 ' ' ILE . . . . . 0.537 ' O ' HG13 ' A' 1916 ' ' ILE . 59.1 mt -57.19 -53.76 39.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-O 120.713 0.292 . . . . 0.0 110.541 -177.375 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1913 ' ' GLY . . . . . 0.529 ' HA2' HD13 ' A' 1916 ' ' ILE . . . -69.31 -24.89 75.88 Favored Glycine 0 N--CA 1.449 -0.498 0 C-N-CA 120.854 -0.689 . . . . 0.0 112.325 -179.272 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1914 ' ' ALA . . . . . . . . . . . . . . . -73.4 -50.07 23.74 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.706 0.289 . . . . 0.0 110.354 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1915 ' ' HIS . . . . . 0.538 ' O ' ' HG2' ' A' 1919 ' ' ARG . 84.3 m-70 -57.67 -40.68 79.92 Favored 'General case' 0 CA--C 1.516 -0.344 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.907 -178.72 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1916 ' ' ILE . . . . . 0.537 HG13 ' O ' ' A' 1912 ' ' ILE . 99.7 mt -50.75 -52.03 18.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.799 177.5 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1917 ' ' LYS . . . . . . . . . . . . . 36.3 mtmm -71.43 -28.4 63.96 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.333 -176.663 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1918 ' ' HIS . . . . . . . . . . . . . 71.0 m-70 -74.54 -33.88 62.85 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.857 0.36 . . . . 0.0 111.169 178.813 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1919 ' ' ARG . . . . . 0.555 ' HD2' ' HB3' ' A' 1963 ' ' HIS . 28.2 mmt180 -80.92 -33.07 34.4 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.715 -175.145 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1920 ' ' VAL . . . . . . . . . . . . . 34.1 m -70.73 -27.47 30.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-O 121.253 0.549 . . . . 0.0 109.526 173.733 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1921 ' ' GLN . . . . . . . . . . . . . 29.9 tt0 -64.52 -40.98 96.64 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-N 115.437 -0.801 . . . . 0.0 110.079 176.077 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1922 ' ' GLU . . . . . 1.052 ' HB3' ' HD3' ' A' 1960 ' ' LYS . 30.3 mt-10 -58.18 -50.75 72.44 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.48 174.801 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1923 ' ' LEU . . . . . . . . . . . . . 40.8 mt -64.4 -32.37 73.96 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.603 -0.726 . . . . 0.0 111.64 -177.645 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1924 ' ' GLY . . . . . . . . . . . . . . . -59.73 -52.77 51.02 Favored Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 120.575 -0.822 . . . . 0.0 112.09 176.612 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1925 ' ' HIS . . . . . . . . . . . . . 39.8 m80 -68.43 -40.32 81.22 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.806 0.336 . . . . 0.0 110.635 -179.466 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1926 ' ' GLY . . . . . . . . . . . . . . . -64.96 -40.67 97.33 Favored Glycine 0 N--CA 1.449 -0.446 0 C-N-CA 120.909 -0.663 . . . . 0.0 112.34 179.14 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1927 ' ' CYS . . . . . 0.58 ' SG ' HD21 ' A' 1889 ' ' LEU . 40.8 t -64.06 -47.17 81.21 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 110.377 -0.231 . . . . 0.0 110.377 178.679 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1928 ' ' SER . . . . . . . . . . . . . 12.6 t -59.28 -36.08 74.89 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.638 -178.638 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1929 ' ' ALA . . . . . . . . . . . . . . . -72.15 -46.58 55.91 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.849 0.357 . . . . 0.0 110.783 176.746 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1930 ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.94 -47.43 84.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.155 -176.833 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1931 ' ' VAL . . . . . . . . . . . . . 30.2 m -64.82 -27.79 43.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.701 0.286 . . . . 0.0 111.255 -177.116 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1932 ' ' THR . . . . . . . . . . . . . 55.6 m -72.59 -40.92 66.19 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.9 0.381 . . . . 0.0 110.083 176.08 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1933 ' ' LYS . . . . . . . . . . . . . 74.4 mmtt -68.82 -37.91 79.52 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.834 178.509 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1934 ' ' ALA . . . . . . . . . . . . . . . -60.6 -48.17 82.98 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.5 177.195 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1935 ' ' GLY . . . . . . . . . . . . . . . -65.35 -39.15 95.7 Favored Glycine 0 N--CA 1.449 -0.475 0 C-N-CA 120.895 -0.669 . . . . 0.0 111.765 177.483 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1936 ' ' ALA . . . . . . . . . . . . . . . -62.09 -44.43 96.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.483 0.183 . . . . 0.0 111.226 179.364 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1937 ' ' LEU . . . . . . . . . . . . . 35.0 tp -68.35 -32.18 72.09 Favored 'General case' 0 CA--C 1.513 -0.465 0 CA-C-O 120.943 0.401 . . . . 0.0 110.523 179.519 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1938 ' ' GLN . . . . . . . . . . . . . 36.1 tt0 -68.06 -26.61 65.93 Favored 'General case' 0 N--CA 1.446 -0.662 0 CA-C-O 121.2 0.524 . . . . 0.0 110.273 179.483 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1939 ' ' CYS . . . . . . . . . . . . . 62.2 m -83.38 -32.71 26.04 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.685 176.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1940 ' ' SER . . . . . . . . . . . . . 22.0 m -124.63 75.73 63.83 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.706 178.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1941 ' ' PRO . . . . . . . . . . . . . 26.9 Cg_exo -63.93 -24.65 67.41 Favored 'Trans proline' 0 C--N 1.345 0.345 0 C-N-CA 122.929 2.419 . . . . 0.0 113.438 -175.507 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1942 ' ' SER . . . . . . . . . . . . . 17.4 m -89.34 0.81 56.54 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.792 0.33 . . . . 0.0 111.483 -178.046 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1943 ' ' ASP . . . . . . . . . . . . . 19.4 t70 -93.71 110.4 22.03 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.919 0.39 . . . . 0.0 110.531 -178.079 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1944 ' ' VAL . . . . . . . . . . . . . 7.8 p -75.18 -28.01 20.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.845 -177.564 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1945 ' ' TYR . . . . . . . . . . . . . 77.0 m-85 -61.3 -47.74 84.57 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.297 -177.735 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1946 ' ' THR . . . . . . . . . . . . . 50.9 m -61.2 -40.13 92.8 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.396 -0.82 . . . . 0.0 110.925 177.346 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1947 ' ' LYS . . . . . . . . . . . . . 29.7 ttpt -66.16 -40.7 90.73 Favored 'General case' 0 N--CA 1.453 -0.283 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.195 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1948 ' ' LYS . . . . . 0.539 ' HE2' ' HA ' ' A' 1948 ' ' LYS . 9.4 mmpt? -57.48 -46.14 84.03 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.409 179.292 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1949 ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -62.31 -34.85 77.41 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.955 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1950 ' ' LEU . . . . . . . . . . . . . 6.4 tt -61.54 -49.42 76.74 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.623 -0.51 . . . . 0.0 109.623 178.387 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1951 ' ' ILE . . . . . 0.451 HG13 ' HB ' ' A' 1872 ' ' VAL . 1.8 mp -63.88 -44.13 97.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.47 177.649 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1952 ' ' GLU . . . . . 0.609 ' O ' ' HG3' ' A' 1956 ' ' ARG . 46.6 mt-10 -64.42 -30.57 71.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.411 -178.783 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1953 ' ' CYS . . . . . . . . . . . . . 33.5 t -81.32 -37.8 27.78 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.719 0.295 . . . . 0.0 110.897 179.759 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1954 ' ' ALA . . . . . . . . . . . . . . . -66.27 -36.46 83.03 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.837 0.351 . . . . 0.0 111.4 -178.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1955 ' ' ARG . . . . . 0.408 ' HA ' ' HG ' ' A' 1958 ' ' SER . 35.7 ptt180 -67.0 -25.15 66.16 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.795 0.331 . . . . 0.0 110.141 177.735 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1956 ' ' ARG . . . . . 0.609 ' HG3' ' O ' ' A' 1952 ' ' GLU . 89.2 mtt180 -74.82 -41.27 60.25 Favored 'General case' 0 C--O 1.219 -0.548 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.416 178.301 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1957 ' ' VAL . . . . . 0.552 ' O ' HG11 ' A' 1961 ' ' VAL . 11.9 m -80.83 -27.3 11.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 C-N-CA 120.674 -0.41 . . . . 0.0 111.545 -176.064 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1958 ' ' SER . . . . . 0.542 ' O ' HG22 ' A' 1961 ' ' VAL . 32.9 p -69.16 -24.02 64.02 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.622 0.248 . . . . 0.0 111.456 -176.446 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1959 ' ' GLU . . . . . 0.42 ' HG3' ' O ' ' A' 1956 ' ' ARG . 0.7 OUTLIER -80.39 -27.07 38.23 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 121.028 0.442 . . . . 0.0 110.254 170.921 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A 1960 ' ' LYS . . . . . 1.052 ' HD3' ' HB3' ' A' 1922 ' ' GLU . 52.7 mttm -76.84 -29.03 55.71 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.735 -176.533 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1961 ' ' VAL . . . . . 0.77 HG23 ' HB2' ' A' 1865 ' ' ALA . 3.2 m -66.14 -33.22 62.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 N-CA-C 108.714 -0.847 . . . . 0.0 108.714 171.848 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1962 ' ' SER . . . . . 0.629 ' HA ' HD13 ' A' 1965 ' ' LEU . 14.5 m -72.59 -25.67 61.41 Favored 'General case' 0 N--CA 1.45 -0.474 0 CA-C-N 115.204 -0.907 . . . . 0.0 109.877 176.434 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1963 ' ' HIS . . . . . 0.555 ' HB3' ' HD2' ' A' 1919 ' ' ARG . 65.6 m170 -72.77 -31.15 64.68 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.724 -0.671 . . . . 0.0 109.99 177.472 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1964 ' ' VAL . . . . . . . . . . . . . 91.7 t -65.76 -45.56 91.41 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.177 0 N-CA-C 108.745 -0.835 . . . . 0.0 108.745 172.06 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1965 ' ' LEU . . . . . 0.629 HD13 ' HA ' ' A' 1962 ' ' SER . 59.5 mt -54.51 -46.18 73.46 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.251 -0.886 . . . . 0.0 110.451 176.73 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1966 ' ' ALA . . . . . . . . . . . . . . . -69.36 -41.47 76.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.911 -179.589 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1967 ' ' ALA . . . . . . . . . . . . . . . -61.44 -44.95 96.22 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.894 0.378 . . . . 0.0 111.34 -179.776 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1968 ' ' LEU . . . . . 0.827 ' HB3' ' HG3' ' A' 1854 ' ' GLN . 4.3 mm? -72.41 -31.94 65.93 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.05 0.452 . . . . 0.0 110.847 179.761 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1969 ' ' GLN . . . . . . . . . . . . . 47.5 mt-30 . . . . . 0 C--N 1.325 -0.459 0 CA-C-O 120.88 0.372 . . . . 0.0 110.982 178.862 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A 1837 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.779 0 N-CA-C 111.729 -0.548 . . . . 0.0 111.729 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A 1838 ' ' ILE . . . . . . . . . . . . . 3.7 mp 62.03 92.98 0.04 OUTLIER 'Isoleucine or valine' 0 C--O 1.235 0.326 0 CA-C-O 121.768 0.794 . . . . 0.0 110.68 -176.024 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1839 ' ' ASP . . . . . . . . . . . . . 4.0 p30 -127.58 158.09 71.05 Favored Pre-proline 0 C--N 1.317 -0.835 0 N-CA-C 108.409 -0.96 . . . . 0.0 108.409 175.308 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1840 ' ' PRO . . . . . . . . . . . . . 16.5 Cg_exo -67.47 0.16 4.41 Favored 'Trans proline' 0 CA--C 1.53 0.283 0 C-N-CA 122.567 2.178 . . . . 0.0 113.367 -173.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1841 ' ' PHE . . . . . . . . . . . . . 82.9 m-85 -100.05 -45.07 5.79 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.936 -0.394 . . . . 0.0 109.936 177.561 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1842 ' ' THR . . . . . . . . . . . . . 23.6 p -73.28 -38.73 65.82 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-O 121.088 0.47 . . . . 0.0 110.676 175.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1843 ' ' MET . . . . . . . . . . . . . 50.4 ttm -143.31 93.56 2.5 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.882 -0.599 . . . . 0.0 109.496 176.112 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1844 ' ' GLY . . . . . . . . . . . . . . . -103.34 157.07 17.8 Favored Glycine 0 N--CA 1.446 -0.662 0 C-N-CA 120.647 -0.787 . . . . 0.0 112.615 -176.235 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1845 ' ' ASP . . . . . . . . . . . . . 18.1 m-20 -96.91 158.26 33.73 Favored Pre-proline 0 C--N 1.322 -0.627 0 N-CA-C 109.653 -0.499 . . . . 0.0 109.653 178.655 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1846 ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -56.1 -56.92 1.75 Allowed 'Trans proline' 0 C--O 1.234 0.306 0 C-N-CA 122.547 2.164 . . . . 0.0 111.789 176.581 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1847 ' ' GLU . . . . . 0.616 ' HB3' ' HG2' ' A' 1908 ' ' GLU . 0.0 OUTLIER -73.62 -5.1 38.29 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.096 0.474 . . . . 0.0 110.951 179.243 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A 1848 ' ' GLY . . . . . . . . . . . . . . . -72.62 -14.32 77.78 Favored Glycine 0 N--CA 1.448 -0.547 0 CA-C-N 115.774 -0.648 . . . . 0.0 112.81 -178.535 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1849 ' ' SER . . . . . . . . . . . . . 24.5 t -94.51 -26.29 16.5 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.334 0.588 . . . . 0.0 109.586 175.684 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1850 ' ' PHE . . . . . . . . . . . . . 83.7 t80 -65.37 -21.87 66.73 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.452 -0.795 . . . . 0.0 110.79 -178.634 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1851 ' ' VAL . . . . . . . . . . . . . 23.7 m -57.3 -33.47 43.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.67 -178.609 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1852 ' ' ASP . . . . . . . . . . . . . 27.8 t70 -77.96 -46.57 20.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.539 -0.3 . . . . 0.0 110.488 -179.079 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1853 ' ' TYR . . . . . 0.502 ' O ' HG23 ' A' 1856 ' ' THR . 68.5 m-85 -64.24 -37.16 86.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.428 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1854 ' ' GLN . . . . . 0.966 ' HG3' ' HB3' ' A' 1968 ' ' LEU . 28.7 tt0 -59.81 -61.08 2.88 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.074 174.775 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1855 ' ' THR . . . . . 0.685 ' O ' ' HG2' ' A' 1859 ' ' ARG . 84.8 m -59.61 -39.05 82.97 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.498 -0.773 . . . . 0.0 111.919 -174.811 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1856 ' ' THR . . . . . 0.502 HG23 ' O ' ' A' 1853 ' ' TYR . 10.8 t -63.5 -47.35 82.06 Favored 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 120.983 -0.287 . . . . 0.0 111.558 -175.397 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1857 ' ' MET . . . . . 0.544 ' HB2' HD11 ' A' 1896 ' ' LEU . 21.1 ptm -82.35 -23.34 35.11 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 121.216 -0.194 . . . . 0.0 111.081 -173.189 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1858 ' ' VAL . . . . . 0.666 ' O ' ' HG3' ' A' 1862 ' ' LYS . 18.5 m -69.87 -32.68 52.67 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.21 0 C-N-CA 119.772 -0.771 . . . . 0.0 109.867 174.164 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1859 ' ' ARG . . . . . 0.685 ' HG2' ' O ' ' A' 1855 ' ' THR . 11.8 mmm180 -60.72 -44.41 96.65 Favored 'General case' 0 CA--C 1.519 -0.228 0 N-CA-C 109.476 -0.564 . . . . 0.0 109.476 175.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1860 ' ' THR . . . . . . . . . . . . . 57.8 m -65.82 -40.95 92.33 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.396 -0.82 . . . . 0.0 110.961 177.379 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1861 ' ' ALA . . . . . 0.415 ' HB3' ' HB ' ' A' 1961 ' ' VAL . . . -61.25 -41.62 97.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.864 0.364 . . . . 0.0 110.891 177.917 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1862 ' ' LYS . . . . . 0.666 ' HG3' ' O ' ' A' 1858 ' ' VAL . 78.9 mttt -68.02 -35.79 78.88 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.04 177.284 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1863 ' ' ALA . . . . . . . . . . . . . . . -64.57 -42.63 95.51 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.297 177.57 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1864 ' ' ILE . . . . . 0.597 ' O ' HG12 ' A' 1868 ' ' VAL . 76.3 mt -61.5 -45.88 97.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.198 174.676 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1865 ' ' ALA . . . . . 0.731 ' HB1' HG21 ' A' 1961 ' ' VAL . . . -58.82 -36.15 74.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.041 -0.527 . . . . 0.0 112.094 -178.22 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1866 ' ' VAL . . . . . 0.406 ' HA ' ' HB3' ' A' 1869 ' ' GLN . 12.9 p -81.27 -29.2 10.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 C-N-CA 120.327 -0.549 . . . . 0.0 110.7 179.212 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1867 ' ' THR . . . . . 0.468 ' O ' ' HG3' ' A' 1871 ' ' MET . 74.9 m -65.09 -46.69 80.06 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.812 0.339 . . . . 0.0 110.729 175.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1868 ' ' VAL . . . . . 0.597 HG12 ' O ' ' A' 1864 ' ' ILE . 4.0 m -66.58 -28.67 44.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 121.847 0.832 . . . . 0.0 110.008 178.925 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1869 ' ' GLN . . . . . 0.406 ' HB3' ' HA ' ' A' 1866 ' ' VAL . 1.8 tp-100 -75.94 -28.62 58.03 Favored 'General case' 0 N--CA 1.433 -1.278 0 CA-C-N 114.622 -1.172 . . . . 0.0 109.963 179.51 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1870 ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -74.3 -36.12 63.72 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.146 171.049 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1871 ' ' MET . . . . . 0.468 ' HG3' ' O ' ' A' 1867 ' ' THR . 9.7 mtt -55.28 -45.48 76.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.363 -179.586 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1872 ' ' VAL . . . . . . . . . . . . . 28.8 m -72.97 -29.11 28.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.78 0.324 . . . . 0.0 111.466 179.809 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1873 ' ' THR . . . . . . . . . . . . . 90.1 m -75.62 -48.48 22.01 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.016 0.436 . . . . 0.0 110.694 179.479 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1874 ' ' LYS . . . . . . . . . . . . . 68.8 mmtt -62.64 -41.48 99.06 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.901 -0.59 . . . . 0.0 111.627 -178.792 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1875 ' ' SER . . . . . 0.531 ' HB3' HD11 ' A' 1882 ' ' LEU . 6.1 p -60.96 -6.64 1.94 Allowed 'General case' 0 N--CA 1.465 0.285 0 N-CA-C 113.219 0.822 . . . . 0.0 113.219 -171.91 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1876 ' ' ASN . . . . . . . . . . . . . 56.6 m-80 -69.64 -48.15 60.92 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.725 0.297 . . . . 0.0 110.598 174.57 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1877 ' ' THR . . . . . . . . . . . . . 75.7 p -124.98 -12.13 7.03 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.917 0.389 . . . . 0.0 111.898 -175.366 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1878 ' ' SER . . . . . . . . . . . . . 50.2 m -131.8 99.34 16.88 Favored Pre-proline 0 C--N 1.319 -0.74 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.825 -171.064 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1879 ' ' PRO . . . . . 0.781 ' HA ' HD13 ' A' 1882 ' ' LEU . 28.1 Cg_endo -94.56 -8.19 1.77 Allowed 'Trans proline' 0 N--CA 1.444 -1.393 0 C-N-CA 121.949 1.766 . . . . 0.0 112.631 174.834 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1880 ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -92.19 -30.25 16.03 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.924 0.392 . . . . 0.0 109.947 178.428 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1881 ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -60.62 -17.65 48.34 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-O 121.448 0.642 . . . . 0.0 110.435 173.506 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1882 ' ' LEU . . . . . 0.781 HD13 ' HA ' ' A' 1879 ' ' PRO . 2.9 mt -78.84 -11.96 60.01 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.297 -0.865 . . . . 0.0 111.532 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1883 ' ' GLY . . . . . . . . . . . . . . . -65.49 -60.9 6.13 Favored Glycine 0 N--CA 1.449 -0.45 0 C-N-CA 120.753 -0.737 . . . . 0.0 111.796 175.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1884 ' ' PRO . . . . . . . . . . . . . 13.6 Cg_endo -59.14 -34.74 98.66 Favored 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 122.569 2.179 . . . . 0.0 112.364 174.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1885 ' ' LEU . . . . . . . . . . . . . 59.2 mt -65.29 -41.16 94.43 Favored 'General case' 0 C--N 1.331 -0.196 0 N-CA-C 111.603 0.223 . . . . 0.0 111.603 -179.491 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1886 ' ' ALA . . . . . . . . . . . . . . . -65.27 -42.06 93.59 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.776 0.322 . . . . 0.0 110.34 178.449 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1887 ' ' ASN . . . . . . . . . . . . . 24.8 t30 -63.53 -41.7 98.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.331 0.586 . . . . 0.0 109.941 175.379 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1888 ' ' GLN . . . . . . . . . . . . . 46.1 tp60 -57.99 -51.91 67.7 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.102 -0.953 . . . . 0.0 111.175 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1889 ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -59.47 -45.76 90.71 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.011 -0.54 . . . . 0.0 109.585 178.814 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1890 ' ' THR . . . . . . . . . . . . . 90.5 m -58.48 -42.93 88.64 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.529 -0.76 . . . . 0.0 111.467 179.827 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1891 ' ' SER . . . . . . . . . . . . . 35.5 t -66.75 -54.28 24.5 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.971 -0.558 . . . . 0.0 111.31 -176.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1892 ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -70.1 -30.0 67.1 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 111.956 0.354 . . . . 0.0 111.956 -174.37 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1893 ' ' TYR . . . . . . . . . . . . . 5.8 t80 -56.48 -42.12 77.73 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.879 -0.328 . . . . 0.0 110.278 174.126 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1894 ' ' GLY . . . . . . . . . . . . . . . -59.24 -37.35 91.7 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.995 -0.622 . . . . 0.0 112.104 179.241 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1895 ' ' ARG . . . . . . . . . . . . . 78.9 ttt180 -70.31 -47.18 62.29 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.875 0.369 . . . . 0.0 110.448 178.707 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1896 ' ' LEU . . . . . 0.544 HD11 ' HB2' ' A' 1857 ' ' MET . 47.6 tp -57.07 -50.51 72.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.773 -0.648 . . . . 0.0 110.902 178.696 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1897 ' ' ALA . . . . . . . . . . . . . . . -65.11 -23.92 67.28 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.282 -179.806 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1898 ' ' SER . . . . . . . . . . . . . 9.2 t -79.76 -40.77 28.01 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.884 -0.413 . . . . 0.0 109.884 -176.81 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1899 ' ' GLN . . . . . . . . . . . . . 12.7 mm100 -72.91 -8.79 57.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.753 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1900 ' ' ALA . . . . . . . . . . . . . . . -68.16 -21.62 64.89 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.677 175.068 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1901 ' ' LYS . . . . . 0.501 ' HB3' ' HD3' ' A' 1902 ' ' PRO . 54.2 tptt -75.7 -58.62 1.35 Allowed Pre-proline 0 CA--C 1.541 0.598 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.589 179.389 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1902 ' ' PRO . . . . . 0.501 ' HD3' ' HB3' ' A' 1901 ' ' LYS . 56.8 Cg_endo -70.88 -18.33 31.82 Favored 'Trans proline' 0 C--N 1.355 0.912 0 C-N-CA 121.948 1.766 . . . . 0.0 112.913 -178.148 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1903 ' ' ALA . . . . . . . . . . . . . . . -79.52 -34.4 41.2 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.92 0.39 . . . . 0.0 110.811 178.299 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1904 ' ' ALA . . . . . . . . . . . . . . . -70.1 -35.02 73.86 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.191 0.519 . . . . 0.0 110.441 -176.678 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1905 ' ' VAL . . . . . . . . . . . . . 27.5 m -86.98 -0.3 7.0 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 115.498 -0.774 . . . . 0.0 111.028 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1906 ' ' ALA . . . . . . . . . . . . . . . -106.64 -28.39 10.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.658 177.746 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1907 ' ' ALA . . . . . . . . . . . . . . . -67.99 121.36 15.92 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.567 178.613 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1908 ' ' GLU . . . . . 0.616 ' HG2' ' HB3' ' A' 1847 ' ' GLU . 7.1 pt-20 -73.89 -21.76 59.97 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.449 -178.648 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1909 ' ' ASN . . . . . . . . . . . . . 24.4 t-20 -95.16 134.8 37.49 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.488 -178.796 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1910 ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -56.04 -53.8 52.58 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.583 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1911 ' ' GLU . . . . . . . . . . . . . 25.6 mt-10 -64.42 -43.28 94.85 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.515 -173.751 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1912 ' ' ILE . . . . . 0.681 ' O ' HG13 ' A' 1916 ' ' ILE . 69.7 mt -55.45 -53.2 38.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 N-CA-C 110.101 -0.333 . . . . 0.0 110.101 177.004 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1913 ' ' GLY . . . . . 0.448 ' HA2' HD13 ' A' 1916 ' ' ILE . . . -63.89 -34.47 90.02 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 121.072 -0.585 . . . . 0.0 112.721 -178.775 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1914 ' ' ALA . . . . . . . . . . . . . . . -72.69 -47.48 46.89 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 122.737 -0.272 . . . . 0.0 110.754 -178.587 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1915 ' ' HIS . . . . . 0.468 ' O ' ' HG2' ' A' 1919 ' ' ARG . 64.2 m-70 -59.26 -33.2 70.75 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.352 -0.386 . . . . 0.0 111.261 -177.74 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1916 ' ' ILE . . . . . 0.681 HG13 ' O ' ' A' 1912 ' ' ILE . 85.4 mt -51.07 -55.7 6.73 Favored 'Isoleucine or valine' 0 C--O 1.233 0.185 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.018 177.8 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1917 ' ' LYS . . . . . 0.416 ' HB2' ' HE2' ' A' 1917 ' ' LYS . 3.8 mppt? -69.4 -34.58 74.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.173 -178.118 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1918 ' ' HIS . . . . . 0.423 ' O ' ' HB3' ' A' 1921 ' ' GLN . 61.4 m-70 -64.91 -43.93 91.22 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 121.096 -0.242 . . . . 0.0 111.531 -178.194 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1919 ' ' ARG . . . . . 0.468 ' HG2' ' O ' ' A' 1915 ' ' HIS . 30.8 mmt180 -70.27 -38.85 75.18 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 120.818 -0.353 . . . . 0.0 111.342 -175.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1920 ' ' VAL . . . . . . . . . . . . . 14.5 m -73.36 -25.25 21.08 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.226 0 CA-C-O 121.197 0.523 . . . . 0.0 110.099 177.83 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1921 ' ' GLN . . . . . 0.423 ' HB3' ' O ' ' A' 1918 ' ' HIS . 33.6 tt0 -64.24 -48.72 74.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.718 -0.673 . . . . 0.0 109.596 173.546 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1922 ' ' GLU . . . . . 0.585 ' CB ' ' HD3' ' A' 1960 ' ' LYS . 47.4 mt-10 -61.87 -46.98 87.07 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.34 -0.845 . . . . 0.0 110.3 176.018 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1923 ' ' LEU . . . . . 0.564 ' HG ' ' HG2' ' A' 1960 ' ' LYS . 18.0 mt -57.74 -36.78 72.53 Favored 'General case' 0 C--O 1.225 -0.203 0 CA-C-N 115.701 -0.682 . . . . 0.0 111.584 -179.395 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1924 ' ' GLY . . . . . . . . . . . . . . . -54.62 -35.67 57.62 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.234 177.766 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1925 ' ' HIS . . . . . . . . . . . . . 21.6 m170 -79.18 -46.54 17.72 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.883 0.373 . . . . 0.0 110.379 178.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1926 ' ' GLY . . . . . . . . . . . . . . . -67.5 -45.27 79.26 Favored Glycine 0 CA--C 1.518 0.26 0 CA-C-N 115.743 -0.662 . . . . 0.0 113.281 -176.276 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1927 ' ' CYS . . . . . . . . . . . . . 83.8 m -63.99 -39.9 95.18 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.733 0.267 . . . . 0.0 110.715 -179.563 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1928 ' ' SER . . . . . . . . . . . . . 47.9 t -64.61 -38.96 92.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.891 0.377 . . . . 0.0 110.166 178.017 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1929 ' ' ALA . . . . . . . . . . . . . . . -64.19 -44.4 92.11 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.435 177.408 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1930 ' ' LEU . . . . . 0.547 ' CD2' ' HG ' ' A' 1950 ' ' LEU . 0.4 OUTLIER -61.08 -54.09 48.97 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.62 -178.99 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A 1931 ' ' VAL . . . . . . . . . . . . . 33.6 m -62.22 -27.65 42.99 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.172 0 N-CA-C 111.586 0.217 . . . . 0.0 111.586 -176.115 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1932 ' ' THR . . . . . . . . . . . . . 81.8 m -68.04 -45.96 72.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.91 0.386 . . . . 0.0 110.159 176.238 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1933 ' ' LYS . . . . . . . . . . . . . 30.8 mmtp -69.97 -34.88 73.95 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.367 179.825 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1934 ' ' ALA . . . . . . . . . . . . . . . -61.84 -43.01 99.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.446 175.401 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1935 ' ' GLY . . . . . . . . . . . . . . . -70.2 -28.48 71.45 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 121.101 -0.571 . . . . 0.0 112.252 178.663 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1936 ' ' ALA . . . . . . . . . . . . . . . -73.36 -44.57 58.41 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.648 0.261 . . . . 0.0 110.806 179.784 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1937 ' ' LEU . . . . . 0.433 ' N ' HG23 ' A' 1946 ' ' THR . 20.9 tp -68.59 -29.28 67.77 Favored 'General case' 0 CA--C 1.514 -0.412 0 CA-C-O 121.602 0.715 . . . . 0.0 109.416 177.173 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1938 ' ' GLN . . . . . . . . . . . . . 8.0 tt0 -61.13 -29.05 69.54 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 114.626 -1.17 . . . . 0.0 109.996 176.409 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1939 ' ' CYS . . . . . . . . . . . . . 58.6 m -86.42 -45.91 10.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.679 176.283 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1940 ' ' SER . . . . . . . . . . . . . 75.0 m -123.89 90.66 50.46 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.508 -0.315 . . . . 0.0 111.629 -178.752 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1941 ' ' PRO . . . . . 0.489 ' HB3' ' HG3' ' A' 1879 ' ' PRO . 59.4 Cg_endo -74.61 -14.3 22.16 Favored 'Trans proline' 0 C--N 1.342 0.229 0 C-N-CA 122.52 2.147 . . . . 0.0 112.695 179.39 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1942 ' ' SER . . . . . . . . . . . . . 22.6 t -81.78 -12.19 58.66 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.725 -178.194 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1943 ' ' ASP . . . . . . . . . . . . . 19.1 t70 -89.49 116.31 27.56 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 110.03 -0.359 . . . . 0.0 110.03 -179.436 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1944 ' ' VAL . . . . . . . . . . . . . 10.9 p -75.82 -35.03 29.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.462 -175.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1945 ' ' TYR . . . . . . . . . . . . . 59.6 m-85 -65.01 -40.42 94.87 Favored 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 111.489 0.181 . . . . 0.0 111.489 -175.859 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1946 ' ' THR . . . . . 0.433 HG23 ' N ' ' A' 1937 ' ' LEU . 63.6 m -56.44 -41.8 77.04 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.244 0.545 . . . . 0.0 110.415 175.454 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1947 ' ' LYS . . . . . 0.425 ' HB3' ' HE2' ' A' 1947 ' ' LYS . 26.2 ttpt -71.69 -40.99 69.18 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.284 179.664 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1948 ' ' LYS . . . . . 0.484 ' O ' ' HG2' ' A' 1952 ' ' GLU . 9.0 mmpt? -54.05 -46.81 72.02 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.06 178.204 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1949 ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 -51.26 -49.65 60.76 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.431 -0.804 . . . . 0.0 110.997 177.507 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1950 ' ' LEU . . . . . 0.547 ' HG ' ' CD2' ' A' 1930 ' ' LEU . 8.9 tt -61.33 -45.37 94.69 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.682 -179.253 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1951 ' ' ILE . . . . . . . . . . . . . 1.7 mp -59.99 -45.56 95.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.851 179.386 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1952 ' ' GLU . . . . . 0.484 ' HG2' ' O ' ' A' 1948 ' ' LYS . 61.9 mm-40 -65.13 -33.21 75.48 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.067 0.461 . . . . 0.0 110.525 179.294 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1953 ' ' CYS . . . . . . . . . . . . . 66.4 m -75.7 -46.28 32.05 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.902 -0.59 . . . . 0.0 112.245 -177.115 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1954 ' ' ALA . . . . . . . . . . . . . . . -59.73 -44.83 93.6 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 112.1 0.407 . . . . 0.0 112.1 -174.604 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1955 ' ' ARG . . . . . . . . . . . . . 5.6 ptp180 -61.68 -31.6 71.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.898 0.38 . . . . 0.0 110.823 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1956 ' ' ARG . . . . . . . . . . . . . 42.4 mtp180 -78.04 -43.73 28.51 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.062 -177.378 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1957 ' ' VAL . . . . . 0.56 ' O ' HG12 ' A' 1961 ' ' VAL . 11.1 m -70.23 -30.25 42.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 C-N-CA 120.334 -0.546 . . . . 0.0 110.504 -179.145 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1958 ' ' SER . . . . . . . . . . . . . 46.2 t -64.71 -24.7 67.65 Favored 'General case' 0 CA--C 1.53 0.19 0 CA-C-O 121.014 0.435 . . . . 0.0 109.971 175.211 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1959 ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -81.26 -41.2 22.56 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.225 0.536 . . . . 0.0 110.273 172.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1960 ' ' LYS . . . . . 0.585 ' HD3' ' CB ' ' A' 1922 ' ' GLU . 18.7 ttmm -65.42 -34.78 79.09 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.574 -178.052 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1961 ' ' VAL . . . . . 0.731 HG21 ' HB1' ' A' 1865 ' ' ALA . 20.8 m -68.67 -33.58 60.45 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.114 0 CA-C-O 121.173 0.511 . . . . 0.0 110.027 173.676 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1962 ' ' SER . . . . . 0.527 ' HA ' HD12 ' A' 1965 ' ' LEU . 36.8 t -67.62 -24.2 65.45 Favored 'General case' 0 N--CA 1.451 -0.382 0 CA-C-N 115.666 -0.697 . . . . 0.0 109.93 178.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1963 ' ' HIS . . . . . . . . . . . . . 59.4 m170 -75.53 -24.62 56.77 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.32 179.626 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1964 ' ' VAL . . . . . 0.469 HG13 HD12 ' A' 1896 ' ' LEU . 85.3 t -70.12 -43.89 78.59 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.258 0 N-CA-C 108.671 -0.863 . . . . 0.0 108.671 169.519 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1965 ' ' LEU . . . . . 0.527 HD12 ' HA ' ' A' 1962 ' ' SER . 26.5 mt -57.62 -48.04 80.52 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.137 -0.938 . . . . 0.0 110.201 177.656 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1966 ' ' ALA . . . . . . . . . . . . . . . -68.89 -45.1 71.8 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.577 -0.738 . . . . 0.0 112.088 -177.214 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1967 ' ' ALA . . . . . . . . . . . . . . . -57.88 -47.59 82.33 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-O 121.189 0.519 . . . . 0.0 110.933 -179.571 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1968 ' ' LEU . . . . . 0.966 ' HB3' ' HG3' ' A' 1854 ' ' GLN . 5.2 mp -64.02 -45.23 89.85 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.356 -0.838 . . . . 0.0 111.407 -179.469 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1969 ' ' GLN . . . . . . . . . . . . . 48.6 mt-30 -83.74 20.22 1.5 Allowed 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.649 -175.207 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1970 ' ' ALA . . . . . 0.496 ' HB2' HG12 ' A' 1912 ' ' ILE . . . -69.66 -21.45 63.53 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.927 0.394 . . . . 0.0 110.508 175.832 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1971 ' ' GLY . . . . . . . . . . . . . . . -75.23 -23.06 75.0 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.809 -0.71 . . . . 0.0 111.404 175.093 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1972 ' ' ASN . . . . . . . . . . . . . 62.8 t30 63.84 76.73 0.34 Allowed 'General case' 0 C--O 1.233 0.224 0 C-N-CA 123.338 0.655 . . . . 0.0 111.621 178.14 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1973 ' ' ARG . . . . . . . . . . . . . 14.7 ptm180 . . . . . 0 C--O 1.249 1.028 0 CA-C-O 118.32 -0.848 . . . . 0.0 110.079 174.822 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A 1837 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.634 0 N-CA-C 112.157 -0.377 . . . . 0.0 112.157 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A 1838 ' ' ILE . . . . . . . . . . . . . 6.3 tp -153.86 136.78 7.26 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-O 120.82 0.343 . . . . 0.0 110.228 179.375 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1839 ' ' ASP . . . . . 0.459 ' HB3' ' HD2' ' A' 1840 ' ' PRO . 10.6 m-20 -64.49 159.79 57.02 Favored Pre-proline 0 C--N 1.326 -0.419 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.407 177.579 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1840 ' ' PRO . . . . . 0.459 ' HD2' ' HB3' ' A' 1839 ' ' ASP . 60.6 Cg_endo -75.16 27.21 0.37 Allowed 'Trans proline' 0 CA--C 1.53 0.291 0 C-N-CA 122.833 2.356 . . . . 0.0 112.62 -179.9 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1841 ' ' PHE . . . . . 0.427 ' H ' ' C ' ' A' 1839 ' ' ASP . 91.7 m-85 -121.6 17.89 11.21 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.0 178.51 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1842 ' ' THR . . . . . . . . . . . . . 30.7 p 64.33 172.75 0.19 Allowed 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 124.209 1.004 . . . . 0.0 112.703 176.488 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1843 ' ' MET . . . . . . . . . . . . . 51.6 ttm -119.22 99.9 6.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.199 -175.106 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1844 ' ' GLY . . . . . . . . . . . . . . . 63.18 41.97 99.53 Favored Glycine 0 N--CA 1.454 -0.153 0 C-N-CA 121.206 -0.521 . . . . 0.0 112.735 176.691 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1845 ' ' ASP . . . . . . . . . . . . . 34.5 t70 -81.65 121.41 79.62 Favored Pre-proline 0 C--N 1.321 -0.641 0 CA-C-O 121.037 0.446 . . . . 0.0 109.944 -178.142 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1846 ' ' PRO . . . . . . . . . . . . . 11.5 Cg_endo -55.35 -60.52 0.53 Allowed 'Trans proline' 0 CA--C 1.529 0.261 0 C-N-CA 123.855 3.036 . . . . 0.0 114.261 -168.546 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1847 ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -102.29 -4.94 24.85 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 120.846 0.355 . . . . 0.0 111.395 -173.058 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1848 ' ' GLY . . . . . . . . . . . . . . . -68.54 -21.21 74.41 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.991 -0.623 . . . . 0.0 113.213 -178.608 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1849 ' ' SER . . . . . . . . . . . . . 32.1 m -91.75 -17.25 25.67 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.039 0.447 . . . . 0.0 110.952 179.441 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1850 ' ' PHE . . . . . . . . . . . . . 91.2 t80 -62.8 -23.19 67.12 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.364 -179.237 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1851 ' ' VAL . . . . . . . . . . . . . 15.1 m -59.81 -30.75 45.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.519 -0.764 . . . . 0.0 111.79 -178.462 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1852 ' ' ASP . . . . . . . . . . . . . 25.5 t70 -80.05 -41.95 24.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.925 0.393 . . . . 0.0 110.333 -177.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1853 ' ' TYR . . . . . 0.454 ' O ' HG21 ' A' 1856 ' ' THR . 47.8 m-85 -67.34 -29.81 69.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.31 0.576 . . . . 0.0 109.964 178.083 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1854 ' ' GLN . . . . . 0.909 ' HG3' ' HB3' ' A' 1968 ' ' LEU . 31.8 tt0 -62.21 -59.89 4.38 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.454 -0.794 . . . . 0.0 110.129 172.824 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1855 ' ' THR . . . . . 0.469 ' O ' ' HG2' ' A' 1859 ' ' ARG . 25.1 m -60.71 -32.85 72.08 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.479 -0.782 . . . . 0.0 112.607 -173.494 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1856 ' ' THR . . . . . 0.554 HG23 ' N ' ' A' 1857 ' ' MET . 11.8 t -65.91 -50.35 64.77 Favored 'General case' 0 CA--C 1.538 0.506 0 N-CA-C 112.216 0.451 . . . . 0.0 112.216 -174.162 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1857 ' ' MET . . . . . 0.706 ' SD ' HD22 ' A' 1968 ' ' LEU . 7.0 ptp -82.89 -25.13 32.78 Favored 'General case' 0 C--N 1.328 -0.334 0 O-C-N 121.961 -0.462 . . . . 0.0 112.149 -173.694 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1858 ' ' VAL . . . . . 0.53 HG13 ' O ' ' A' 1854 ' ' GLN . 28.2 m -64.96 -29.77 48.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 C-N-CA 120.195 -0.602 . . . . 0.0 110.011 178.923 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1859 ' ' ARG . . . . . 0.469 ' HG2' ' O ' ' A' 1855 ' ' THR . 41.2 mmm-85 -63.12 -47.11 84.18 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.248 0.547 . . . . 0.0 109.622 174.163 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1860 ' ' THR . . . . . 0.424 ' O ' HG13 ' A' 1864 ' ' ILE . 89.6 m -60.76 -43.75 97.61 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-N 115.272 -0.876 . . . . 0.0 111.208 177.643 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1861 ' ' ALA . . . . . . . . . . . . . . . -57.86 -43.18 85.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.87 0.367 . . . . 0.0 110.965 179.406 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1862 ' ' LYS . . . . . 0.456 ' HG3' ' O ' ' A' 1858 ' ' VAL . 57.6 mttm -63.88 -42.22 97.54 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.288 177.13 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1863 ' ' ALA . . . . . . . . . . . . . . . -65.23 -41.97 93.85 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.723 -0.671 . . . . 0.0 111.029 179.26 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1864 ' ' ILE . . . . . 0.424 HG13 ' O ' ' A' 1860 ' ' THR . 68.9 mt -61.42 -44.15 98.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 N-CA-C 110.123 -0.325 . . . . 0.0 110.123 177.192 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1865 ' ' ALA . . . . . 0.727 ' HB2' HG21 ' A' 1961 ' ' VAL . . . -57.51 -45.22 85.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.813 -179.822 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1866 ' ' VAL . . . . . 0.405 ' HA ' ' HG2' ' A' 1869 ' ' GLN . 13.0 p -73.37 -32.49 37.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 C-N-CA 120.487 -0.485 . . . . 0.0 110.467 -179.532 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1867 ' ' THR . . . . . . . . . . . . . 84.5 m -68.52 -46.56 69.26 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.741 0.305 . . . . 0.0 110.727 178.495 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1868 ' ' VAL . . . . . 0.424 HG13 HD12 ' A' 1889 ' ' LEU . 32.6 m -67.17 -35.26 73.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.475 -0.329 . . . . 0.0 110.723 -179.78 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1869 ' ' GLN . . . . . 0.523 ' O ' HG22 ' A' 1872 ' ' VAL . 1.8 pt20 -73.89 -30.08 62.42 Favored 'General case' 0 N--CA 1.452 -0.349 0 C-N-CA 120.473 -0.491 . . . . 0.0 109.737 179.045 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1870 ' ' GLU . . . . . 0.548 ' O ' ' HG2' ' A' 1874 ' ' LYS . 27.0 mt-10 -62.68 -41.55 99.16 Favored 'General case' 0 C--O 1.219 -0.546 0 N-CA-C 109.778 -0.452 . . . . 0.0 109.778 172.151 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1871 ' ' MET . . . . . 0.442 ' HB3' HD23 ' A' 1950 ' ' LEU . 7.6 mtt -55.11 -44.47 75.01 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.076 178.856 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1872 ' ' VAL . . . . . 0.968 ' HB ' HG13 ' A' 1951 ' ' ILE . 1.3 m -75.06 -29.12 21.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 121.294 0.569 . . . . 0.0 110.789 -179.369 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1873 ' ' THR . . . . . . . . . . . . . 91.7 m -79.07 -44.46 22.09 Favored 'General case' 0 N--CA 1.441 -0.924 0 CA-C-N 115.508 -0.769 . . . . 0.0 111.207 -177.706 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1874 ' ' LYS . . . . . 0.548 ' HG2' ' O ' ' A' 1870 ' ' GLU . 31.5 mmtp -67.24 -40.25 86.29 Favored 'General case' 0 C--O 1.219 -0.506 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.613 -178.912 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1875 ' ' SER . . . . . 0.602 ' HB3' HD12 ' A' 1882 ' ' LEU . 6.1 p -58.0 -14.86 7.29 Favored 'General case' 0 N--CA 1.466 0.326 0 N-CA-C 113.168 0.803 . . . . 0.0 113.168 -172.439 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1876 ' ' ASN . . . . . . . . . . . . . 62.4 m-80 -63.87 -42.88 97.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.81 0.338 . . . . 0.0 110.494 176.149 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1877 ' ' THR . . . . . . . . . . . . . 27.4 p -122.83 -30.15 3.87 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.133 0.492 . . . . 0.0 112.088 -177.023 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1878 ' ' SER . . . . . . . . . . . . . 75.4 m -120.7 103.18 43.88 Favored Pre-proline 0 C--N 1.32 -0.706 0 CA-C-N 115.708 -0.678 . . . . 0.0 112.093 -169.122 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1879 ' ' PRO . . . . . 0.796 ' HA ' HD11 ' A' 1882 ' ' LEU . 21.9 Cg_endo -92.66 -7.72 2.73 Favored 'Trans proline' 0 N--CA 1.445 -1.382 0 C-N-CA 121.862 1.708 . . . . 0.0 111.182 171.521 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1880 ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 -72.36 -42.67 65.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.188 -0.915 . . . . 0.0 110.266 178.063 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1881 ' ' GLU . . . . . . . . . . . . . 54.3 mm-40 -63.57 -14.59 52.89 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.391 -0.822 . . . . 0.0 111.387 -179.486 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1882 ' ' LEU . . . . . 0.796 HD11 ' HA ' ' A' 1879 ' ' PRO . 3.1 mt -80.85 -9.01 59.86 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.711 -0.677 . . . . 0.0 112.33 -171.477 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1883 ' ' GLY . . . . . . . . . . . . . . . -76.09 -60.24 3.16 Favored Glycine 0 N--CA 1.448 -0.524 0 C-N-CA 120.52 -0.847 . . . . 0.0 111.434 175.06 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1884 ' ' PRO . . . . . . . . . . . . . 45.0 Cg_exo -57.32 -40.92 78.22 Favored 'Trans proline' 0 C--N 1.349 0.571 0 C-N-CA 122.759 2.306 . . . . 0.0 112.36 176.078 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1885 ' ' LEU . . . . . . . . . . . . . 56.5 mt -60.43 -37.79 82.04 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-O 120.592 0.234 . . . . 0.0 111.396 -179.465 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1886 ' ' ALA . . . . . . . . . . . . . . . -63.48 -50.32 70.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.973 0.416 . . . . 0.0 110.52 178.7 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1887 ' ' ASN . . . . . . . . . . . . . 56.8 t30 -63.17 -40.43 97.51 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.374 178.713 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1888 ' ' GLN . . . . . . . . . . . . . 28.6 tp60 -61.14 -48.63 80.72 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.277 -179.518 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1889 ' ' LEU . . . . . 0.424 HD12 HG13 ' A' 1868 ' ' VAL . 0.9 OUTLIER -55.81 -48.03 76.12 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 108.878 -0.786 . . . . 0.0 108.878 177.288 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A 1890 ' ' THR . . . . . . . . . . . . . 24.8 m -58.97 -42.22 89.4 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 114.814 -1.085 . . . . 0.0 111.293 -179.318 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1891 ' ' SER . . . . . . . . . . . . . 62.6 m -63.72 -49.18 74.09 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.786 -178.447 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1892 ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -68.56 -33.9 74.9 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 121.001 -0.28 . . . . 0.0 111.23 -177.804 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1893 ' ' TYR . . . . . . . . . . . . . 47.5 t80 -58.91 -33.99 71.18 Favored 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 121.065 -0.254 . . . . 0.0 110.641 177.538 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1894 ' ' GLY . . . . . . . . . . . . . . . -55.84 -38.89 75.69 Favored Glycine 0 C--N 1.332 0.309 0 C-N-CA 120.983 -0.627 . . . . 0.0 111.883 176.648 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1895 ' ' ARG . . . . . 0.463 ' O ' ' HG2' ' A' 1899 ' ' GLN . 75.2 mtp180 -66.93 -53.51 31.19 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.046 0.45 . . . . 0.0 110.053 176.571 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1896 ' ' LEU . . . . . 0.423 HD12 ' HB2' ' A' 1857 ' ' MET . 63.7 tp -52.56 -49.55 64.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.231 -0.895 . . . . 0.0 111.542 -177.907 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1897 ' ' ALA . . . . . . . . . . . . . . . -65.94 -29.82 70.29 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.647 -177.028 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1898 ' ' SER . . . . . . . . . . . . . 42.1 m -81.02 -32.5 34.14 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.759 0.314 . . . . 0.0 110.756 -176.246 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1899 ' ' GLN . . . . . 0.463 ' HG2' ' O ' ' A' 1895 ' ' ARG . 83.5 mm-40 -78.66 -10.4 59.74 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.62 -178.87 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1900 ' ' ALA . . . . . . . . . . . . . . . -70.66 -26.94 63.67 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.764 178.701 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1901 ' ' LYS . . . . . 0.411 ' HB3' ' HD3' ' A' 1902 ' ' PRO . 86.9 tttt -71.3 -57.74 4.38 Favored Pre-proline 0 CA--C 1.538 0.498 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.427 -179.37 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1902 ' ' PRO . . . . . 0.496 ' HA ' HG23 ' A' 1905 ' ' VAL . 36.6 Cg_endo -65.67 -22.47 57.59 Favored 'Trans proline' 0 C--N 1.356 0.957 0 C-N-CA 121.984 1.789 . . . . 0.0 112.485 -179.747 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1903 ' ' ALA . . . . . . . . . . . . . . . -73.56 -31.41 63.62 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.91 0.386 . . . . 0.0 110.441 177.035 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1904 ' ' ALA . . . . . . . . . . . . . . . -77.5 -34.1 54.26 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.608 -178.709 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1905 ' ' VAL . . . . . 0.496 HG23 ' HA ' ' A' 1902 ' ' PRO . 22.3 m -80.54 -12.1 12.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.039 -179.636 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1906 ' ' ALA . . . . . . . . . . . . . . . -106.27 6.0 30.28 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.039 0.447 . . . . 0.0 110.281 176.204 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1907 ' ' ALA . . . . . . . . . . . . . . . -81.91 131.72 35.26 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.885 -179.385 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1908 ' ' GLU . . . . . . . . . . . . . 35.9 mm-40 -80.35 -30.94 38.03 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.96 -178.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1909 ' ' ASN . . . . . 0.694 ' HB2' HG13 ' A' 1912 ' ' ILE . 91.5 m-20 -112.71 156.15 23.28 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.53 -0.305 . . . . 0.0 110.863 -176.764 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1910 ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -50.49 -53.33 30.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.334 -0.848 . . . . 0.0 110.917 178.085 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1911 ' ' GLU . . . . . 0.489 ' HB3' ' CD2' ' A' 1915 ' ' HIS . 1.3 mm-40 -75.39 -29.0 59.68 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 114.516 -1.22 . . . . 0.0 113.009 -170.419 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1912 ' ' ILE . . . . . 0.694 HG13 ' HB2' ' A' 1909 ' ' ASN . 58.0 mt -55.05 -53.39 34.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 C-N-CA 120.665 -0.414 . . . . 0.0 110.122 -179.563 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1913 ' ' GLY . . . . . . . . . . . . . . . -71.53 -33.37 63.94 Favored Glycine 0 N--CA 1.447 -0.602 0 C-N-CA 120.612 -0.804 . . . . 0.0 112.125 179.053 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1914 ' ' ALA . . . . . . . . . . . . . . . -69.03 -44.49 72.61 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.525 0.202 . . . . 0.0 110.79 -176.369 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1915 ' ' HIS . . . . . 0.515 ' O ' ' HG2' ' A' 1919 ' ' ARG . 63.4 m-70 -59.73 -45.4 92.29 Favored 'General case' 0 CA--C 1.519 -0.232 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.726 -179.406 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1916 ' ' ILE . . . . . 0.465 HG13 ' O ' ' A' 1912 ' ' ILE . 82.5 mt -54.08 -58.99 2.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.608 178.213 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1917 ' ' LYS . . . . . 0.502 ' O ' ' HG2' ' A' 1921 ' ' GLN . 21.5 mtpp -60.78 -33.39 72.89 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.353 -0.84 . . . . 0.0 111.641 -177.78 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1918 ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -71.58 -43.92 65.41 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.341 -178.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1919 ' ' ARG . . . . . 0.515 ' HG2' ' O ' ' A' 1915 ' ' HIS . 0.8 OUTLIER -73.56 -35.88 65.53 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.567 -0.288 . . . . 0.0 111.288 -176.279 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A 1920 ' ' VAL . . . . . . . . . . . . . 31.4 m -68.23 -29.71 45.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.799 0.333 . . . . 0.0 110.464 177.518 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1921 ' ' GLN . . . . . 0.502 ' HG2' ' O ' ' A' 1917 ' ' LYS . 12.3 mm100 -67.84 -41.66 82.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.871 0.367 . . . . 0.0 110.346 175.771 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1922 ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -67.69 -37.54 82.44 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.555 177.412 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1923 ' ' LEU . . . . . . . . . . . . . 33.0 mt -64.74 -31.1 72.17 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.523 174.204 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1924 ' ' GLY . . . . . . . . . . . . . . . -64.38 -45.35 93.57 Favored Glycine 0 N--CA 1.449 -0.485 0 C-N-CA 120.987 -0.625 . . . . 0.0 111.648 174.704 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1925 ' ' HIS . . . . . . . . . . . . . 29.2 m170 -64.17 -39.83 94.83 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.128 0.489 . . . . 0.0 109.846 176.436 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1926 ' ' GLY . . . . . . . . . . . . . . . -66.35 -52.55 34.86 Favored Glycine 0 N--CA 1.447 -0.583 0 CA-C-N 115.332 -0.849 . . . . 0.0 113.24 -178.822 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1927 ' ' CYS . . . . . . . . . . . . . 22.6 p -62.45 -40.25 96.01 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 117.127 0.463 . . . . 0.0 111.053 -177.221 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1928 ' ' SER . . . . . . . . . . . . . 37.5 t -58.87 -44.07 90.99 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-O 120.779 0.323 . . . . 0.0 110.684 178.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1929 ' ' ALA . . . . . . . . . . . . . . . -70.51 -40.77 73.33 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.879 0.371 . . . . 0.0 110.439 178.066 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1930 ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -61.73 -53.55 54.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.986 -178.305 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1931 ' ' VAL . . . . . . . . . . . . . 30.0 m -63.16 -29.5 47.39 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.171 0 CA-C-O 120.679 0.276 . . . . 0.0 111.017 -176.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1932 ' ' THR . . . . . . . . . . . . . 87.0 m -68.54 -44.99 73.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.444 176.484 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1933 ' ' LYS . . . . . . . . . . . . . 73.1 mmtt -67.77 -34.36 76.64 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.462 177.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1934 ' ' ALA . . . . . 0.467 ' HA ' HD13 ' A' 1950 ' ' LEU . . . -59.83 -48.92 79.74 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.343 175.934 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1935 ' ' GLY . . . . . . . . . . . . . . . -68.0 -41.15 88.21 Favored Glycine 0 N--CA 1.449 -0.494 0 C-N-CA 120.999 -0.619 . . . . 0.0 112.027 177.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1936 ' ' ALA . . . . . . . . . . . . . . . -61.62 -41.23 97.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.574 0.226 . . . . 0.0 111.287 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1937 ' ' LEU . . . . . 0.46 ' HB2' HG23 ' A' 1946 ' ' THR . 34.2 tp -70.6 -34.9 72.67 Favored 'General case' 0 CA--C 1.511 -0.539 0 CA-C-O 121.035 0.445 . . . . 0.0 110.211 177.585 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1938 ' ' GLN . . . . . . . . . . . . . 37.5 tt0 -65.21 -26.89 68.33 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.159 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1939 ' ' CYS . . . . . . . . . . . . . 76.1 m -78.5 -13.81 59.66 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.376 176.472 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1940 ' ' SER . . . . . . . . . . . . . 69.3 m -159.27 84.5 2.32 Favored Pre-proline 0 N--CA 1.465 0.312 0 CA-C-O 120.723 0.297 . . . . 0.0 110.737 -179.29 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1941 ' ' PRO . . . . . 0.601 ' HB3' ' HG3' ' A' 1879 ' ' PRO . 55.7 Cg_endo -71.09 -18.97 30.46 Favored 'Trans proline' 0 C--N 1.343 0.265 0 C-N-CA 122.753 2.302 . . . . 0.0 113.319 -174.3 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1942 ' ' SER . . . . . . . . . . . . . 4.0 p -79.92 -23.59 41.65 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.755 -177.041 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1943 ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -77.06 111.12 12.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.117 0.484 . . . . 0.0 110.548 -179.12 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1944 ' ' VAL . . . . . 0.432 ' O ' ' HG3' ' A' 1948 ' ' LYS . 14.6 p -71.05 -32.6 48.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.508 -175.406 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1945 ' ' TYR . . . . . . . . . . . . . 97.8 m-85 -60.87 -48.02 83.74 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.505 -0.316 . . . . 0.0 111.545 -174.826 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1946 ' ' THR . . . . . 0.46 HG23 ' HB2' ' A' 1937 ' ' LEU . 95.9 m -59.89 -37.44 79.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.078 0.466 . . . . 0.0 110.662 177.51 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1947 ' ' LYS . . . . . 0.4 ' HB3' ' HE2' ' A' 1947 ' ' LYS . 31.6 ttpt -61.52 -48.31 81.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.588 -179.67 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1948 ' ' LYS . . . . . 0.432 ' HG3' ' O ' ' A' 1944 ' ' VAL . 13.4 mtpt -63.62 -37.88 89.01 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.115 -173.226 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1949 ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -63.47 -31.96 73.26 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.022 0.439 . . . . 0.0 110.527 178.665 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1950 ' ' LEU . . . . . 0.569 HD11 HD22 ' A' 1882 ' ' LEU . 8.6 tt -66.11 -52.08 51.96 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.776 -0.647 . . . . 0.0 109.628 176.935 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1951 ' ' ILE . . . . . 0.968 HG13 ' HB ' ' A' 1872 ' ' VAL . 1.9 mp -57.97 -45.6 87.86 Favored 'Isoleucine or valine' 0 C--O 1.235 0.324 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.085 177.244 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1952 ' ' GLU . . . . . 0.491 ' O ' ' HG3' ' A' 1956 ' ' ARG . 51.9 mm-40 -59.47 -36.86 76.78 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.719 -0.673 . . . . 0.0 112.135 -179.162 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1953 ' ' CYS . . . . . 0.412 ' O ' HG11 ' A' 1957 ' ' VAL . 39.6 t -75.69 -46.28 32.11 Favored 'General case' 0 C--N 1.319 -0.745 0 C-N-CA 120.715 -0.394 . . . . 0.0 110.791 -178.295 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1954 ' ' ALA . . . . . 0.485 ' HB1' ' CG1' ' A' 1872 ' ' VAL . . . -62.64 -40.94 98.59 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 111.967 0.358 . . . . 0.0 111.967 -175.926 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1955 ' ' ARG . . . . . . . . . . . . . 5.7 ptm180 -63.31 -29.7 70.97 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.101 0.476 . . . . 0.0 110.72 179.203 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1956 ' ' ARG . . . . . 0.491 ' HG3' ' O ' ' A' 1952 ' ' GLU . 54.4 mtt-85 -82.1 -35.06 28.99 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.114 -177.632 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1957 ' ' VAL . . . . . 0.51 ' O ' HG11 ' A' 1961 ' ' VAL . 8.6 m -80.26 -28.94 12.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 C-N-CA 120.899 -0.32 . . . . 0.0 111.146 -179.462 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1958 ' ' SER . . . . . 0.612 ' O ' HG23 ' A' 1961 ' ' VAL . 12.4 p -65.72 -24.32 66.95 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 121.188 0.518 . . . . 0.0 110.337 178.141 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1959 ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -74.21 -39.68 62.95 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.058 171.455 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1960 ' ' LYS . . . . . 0.435 ' HG3' ' O ' ' A' 1956 ' ' ARG . 65.4 mttm -65.39 -31.92 73.28 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.266 -177.262 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1961 ' ' VAL . . . . . 0.727 HG21 ' HB2' ' A' 1865 ' ' ALA . 3.7 m -64.08 -35.25 73.06 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.221 0 CA-C-O 121.034 0.445 . . . . 0.0 109.835 178.081 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1962 ' ' SER . . . . . 0.615 ' HA ' HD11 ' A' 1965 ' ' LEU . 20.1 m -73.16 -24.55 60.59 Favored 'General case' 0 N--CA 1.442 -0.851 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.478 176.923 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1963 ' ' HIS . . . . . . . . . . . . . 39.9 m170 -73.77 -28.9 61.9 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.412 -0.588 . . . . 0.0 109.412 177.203 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1964 ' ' VAL . . . . . 0.437 ' O ' HD23 ' A' 1968 ' ' LEU . 84.5 t -65.95 -49.14 78.91 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.207 0 N-CA-C 108.827 -0.805 . . . . 0.0 108.827 169.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1965 ' ' LEU . . . . . 0.615 HD11 ' HA ' ' A' 1962 ' ' SER . 57.0 mt -51.0 -47.18 61.64 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.627 177.645 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1966 ' ' ALA . . . . . . . . . . . . . . . -63.14 -36.05 82.31 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.953 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1967 ' ' ALA . . . . . . . . . . . . . . . -67.39 -44.78 78.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.831 0.348 . . . . 0.0 111.125 -179.283 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1968 ' ' LEU . . . . . 0.909 ' HB3' ' HG3' ' A' 1854 ' ' GLN . 4.0 mm? -70.98 -29.15 65.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.902 -179.169 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1969 ' ' GLN . . . . . . . . . . . . . 71.5 mt-30 -85.84 -0.43 55.32 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.256 -179.546 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1970 ' ' ALA . . . . . . . . . . . . . . . -79.67 110.55 15.11 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.851 0.358 . . . . 0.0 110.127 178.16 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1971 ' ' GLY . . . . . . . . . . . . . . . -133.22 150.87 19.91 Favored Glycine 0 N--CA 1.445 -0.736 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.187 -178.545 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1972 ' ' ASN . . . . . 0.451 ' HB3' HD22 ' A' 1909 ' ' ASN . 23.1 p-10 -112.23 1.13 16.03 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.568 0.223 . . . . 0.0 111.082 -179.051 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1973 ' ' ARG . . . . . . . . . . . . . 77.5 ttt180 . . . . . 0 C--O 1.249 1.028 0 CA-C-O 118.416 -0.802 . . . . 0.0 110.214 -176.822 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A 1837 ' ' GLY . . . . . 0.464 ' O ' ' HB ' ' A' 1838 ' ' ILE . . . . . . . . 0 N--CA 1.482 1.734 0 N-CA-C 111.193 -0.763 . . . . 0.0 111.193 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1838 ' ' ILE . . . . . 0.464 ' HB ' ' O ' ' A' 1837 ' ' GLY . 2.7 mp 72.28 -58.73 0.28 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.294 0 N-CA-C 109.495 -0.558 . . . . 0.0 109.495 -170.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1839 ' ' ASP . . . . . 0.482 ' HA ' ' HD3' ' A' 1840 ' ' PRO . 2.7 m-20 68.0 125.14 0.03 OUTLIER Pre-proline 0 N--CA 1.465 0.318 0 O-C-N 124.199 0.937 . . . . 0.0 112.358 173.433 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1840 ' ' PRO . . . . . 0.482 ' HD3' ' HA ' ' A' 1839 ' ' ASP . 7.6 Cg_exo -74.07 -3.61 14.07 Favored 'Trans proline' 0 C--O 1.234 0.289 0 C-N-CA 123.403 2.735 . . . . 0.0 112.408 179.626 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1841 ' ' PHE . . . . . . . . . . . . . 82.8 m-85 -84.79 70.6 10.85 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.478 -178.622 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1842 ' ' THR . . . . . 0.544 ' HB ' ' SD ' ' A' 1843 ' ' MET . 12.2 p -141.64 -75.23 0.3 Allowed 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.151 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1843 ' ' MET . . . . . 0.544 ' SD ' ' HB ' ' A' 1842 ' ' THR . 3.6 mpp? -118.72 -41.22 2.81 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.893 0.377 . . . . 0.0 110.931 -179.615 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1844 ' ' GLY . . . . . . . . . . . . . . . 107.65 29.03 4.57 Favored Glycine 0 N--CA 1.448 -0.553 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.197 -178.638 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1845 ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -70.31 125.68 92.08 Favored Pre-proline 0 C--N 1.327 -0.371 0 CA-C-O 120.801 0.334 . . . . 0.0 111.067 179.633 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1846 ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -75.01 -19.29 17.97 Favored 'Trans proline' 0 N--CA 1.461 -0.416 0 C-N-CA 122.618 2.212 . . . . 0.0 111.685 177.537 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1847 ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -111.46 127.8 55.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.202 177.442 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1848 ' ' GLY . . . . . . . . . . . . . . . -167.51 156.69 28.6 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.954 -0.641 . . . . 0.0 111.817 -178.088 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1849 ' ' SER . . . . . . . . . . . . . 13.5 t 71.22 -51.17 0.69 Allowed 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 123.367 0.667 . . . . 0.0 110.531 -176.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1850 ' ' PHE . . . . . . . . . . . . . 40.0 t80 -58.18 -30.28 66.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.713 175.055 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1851 ' ' VAL . . . . . . . . . . . . . 34.5 m -58.5 -25.04 26.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.794 -0.639 . . . . 0.0 112.075 -177.471 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1852 ' ' ASP . . . . . . . . . . . . . 19.3 t70 -71.99 -52.66 15.97 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.816 0.341 . . . . 0.0 110.457 177.484 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1853 ' ' TYR . . . . . 0.557 ' O ' ' HG2' ' A' 1857 ' ' MET . 20.2 m-85 -61.0 -42.86 99.26 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.13 -0.693 . . . . 0.0 109.13 178.31 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1854 ' ' GLN . . . . . 0.732 ' HG3' ' HB3' ' A' 1968 ' ' LEU . 39.0 tt0 -49.4 -60.5 2.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 114.564 -1.198 . . . . 0.0 110.775 176.589 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1855 ' ' THR . . . . . 0.593 ' O ' ' HG2' ' A' 1859 ' ' ARG . 29.7 m -64.41 -27.75 69.21 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.314 -177.124 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1856 ' ' THR . . . . . 0.484 HG22 ' N ' ' A' 1857 ' ' MET . 1.0 OUTLIER -69.25 -56.17 8.35 Favored 'General case' 0 N--CA 1.445 -0.677 0 CA-C-O 120.838 0.352 . . . . 0.0 111.515 179.029 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A 1857 ' ' MET . . . . . 0.858 ' HG3' HD11 ' A' 1968 ' ' LEU . 7.0 ptm -77.88 -17.72 57.01 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 111.895 0.332 . . . . 0.0 111.895 -170.911 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1858 ' ' VAL . . . . . 0.464 HG11 ' O ' ' A' 1854 ' ' GLN . 34.5 m -66.32 -40.44 86.76 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.165 0 C-N-CA 119.651 -0.82 . . . . 0.0 109.545 170.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1859 ' ' ARG . . . . . 0.593 ' HG2' ' O ' ' A' 1855 ' ' THR . 36.4 mmt180 -62.81 -41.62 99.37 Favored 'General case' 0 CA--C 1.519 -0.213 0 CA-C-O 121.26 0.552 . . . . 0.0 109.611 177.659 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1860 ' ' THR . . . . . 0.432 HG23 ' HB2' ' A' 1896 ' ' LEU . 32.6 m -65.84 -45.22 83.04 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.273 -0.876 . . . . 0.0 111.06 -178.544 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1861 ' ' ALA . . . . . 0.44 ' HB3' HD22 ' A' 1965 ' ' LEU . . . -60.64 -41.21 94.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.861 0.363 . . . . 0.0 110.694 178.598 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1862 ' ' LYS . . . . . . . . . . . . . 57.1 mttm -66.7 -38.44 86.76 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.492 177.847 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1863 ' ' ALA . . . . . . . . . . . . . . . -64.26 -42.38 96.51 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.527 177.641 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1864 ' ' ILE . . . . . 0.637 ' O ' HG11 ' A' 1868 ' ' VAL . 66.7 mt -62.28 -46.81 95.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.154 175.689 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1865 ' ' ALA . . . . . 0.753 ' HB1' HG21 ' A' 1961 ' ' VAL . . . -56.07 -48.45 76.07 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.707 -179.345 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1866 ' ' VAL . . . . . . . . . . . . . 8.7 p -67.93 -29.79 46.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 C-N-CA 120.489 -0.484 . . . . 0.0 110.454 -179.509 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1867 ' ' THR . . . . . 0.668 ' O ' ' HG3' ' A' 1871 ' ' MET . 95.8 m -67.39 -50.29 60.24 Favored 'General case' 0 N--CA 1.455 -0.198 0 CA-C-N 116.729 -0.214 . . . . 0.0 110.663 177.842 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1868 ' ' VAL . . . . . 0.637 HG11 ' O ' ' A' 1864 ' ' ILE . 2.9 m -61.54 -31.83 51.75 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.313 0 CA-C-O 121.716 0.769 . . . . 0.0 109.743 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1869 ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -74.31 -32.6 62.91 Favored 'General case' 0 N--CA 1.424 -1.727 0 CA-C-N 114.642 -1.163 . . . . 0.0 110.265 -179.371 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1870 ' ' GLU . . . . . 0.583 ' O ' ' HG2' ' A' 1874 ' ' LYS . 39.2 mt-10 -70.46 -44.49 67.67 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.286 173.271 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1871 ' ' MET . . . . . 0.668 ' HG3' ' O ' ' A' 1867 ' ' THR . 43.1 mtp -52.81 -51.45 60.77 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.034 -177.686 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1872 ' ' VAL . . . . . 0.432 ' HB ' HG13 ' A' 1951 ' ' ILE . 34.5 m -66.98 -29.25 45.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-O 120.891 0.377 . . . . 0.0 111.487 -179.768 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1873 ' ' THR . . . . . . . . . . . . . 97.3 m -72.96 -40.34 65.41 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.65 178.33 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1874 ' ' LYS . . . . . 0.583 ' HG2' ' O ' ' A' 1870 ' ' GLU . 74.5 mmtt -65.84 -39.87 91.2 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.484 178.545 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1875 ' ' SER . . . . . . . . . . . . . 36.1 m -55.62 -18.54 7.99 Favored 'General case' 0 N--CA 1.466 0.357 0 N-CA-C 113.213 0.819 . . . . 0.0 113.213 -172.533 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1876 ' ' ASN . . . . . . . . . . . . . 59.4 m-80 -66.98 -35.52 80.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.912 0.387 . . . . 0.0 110.852 179.438 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1877 ' ' THR . . . . . . . . . . . . . 22.5 p -132.62 -42.36 0.93 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.137 0.494 . . . . 0.0 111.925 -174.07 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1878 ' ' SER . . . . . . . . . . . . . 43.3 m -111.53 97.73 37.72 Favored Pre-proline 0 C--N 1.323 -0.566 0 CA-C-N 115.657 -0.701 . . . . 0.0 111.64 -173.026 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1879 ' ' PRO . . . . . 0.718 ' HA ' HD11 ' A' 1882 ' ' LEU . 61.3 Cg_endo -91.69 -14.07 1.66 Allowed 'Trans proline' 0 N--CA 1.443 -1.461 0 C-N-CA 121.637 1.558 . . . . 0.0 112.631 177.461 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1880 ' ' GLU . . . . . . . . . . . . . 53.4 mm-40 -77.61 -29.04 51.68 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-O 121.185 0.517 . . . . 0.0 109.686 176.832 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1881 ' ' GLU . . . . . . . . . . . . . 19.7 mm-40 -67.25 -14.23 62.72 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.479 -0.782 . . . . 0.0 111.596 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1882 ' ' LEU . . . . . 0.718 HD11 ' HA ' ' A' 1879 ' ' PRO . 0.6 OUTLIER -78.72 -12.61 60.03 Favored 'General case' 0 N--CA 1.442 -0.849 0 CA-C-N 115.936 -0.575 . . . . 0.0 112.002 -177.672 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A 1883 ' ' GLY . . . . . . . . . . . . . . . -63.41 -61.54 6.19 Favored Glycine 0 CA--C 1.519 0.34 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.162 176.238 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1884 ' ' PRO . . . . . . . . . . . . . 13.7 Cg_endo -58.81 -35.83 97.99 Favored 'Trans proline' 0 C--N 1.348 0.52 0 C-N-CA 122.522 2.148 . . . . 0.0 112.47 176.252 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1885 ' ' LEU . . . . . . . . . . . . . 63.1 mt -65.0 -40.2 94.58 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.662 -0.244 . . . . 0.0 111.333 -179.535 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1886 ' ' ALA . . . . . . . . . . . . . . . -61.65 -44.05 97.7 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.167 0.508 . . . . 0.0 110.455 178.099 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1887 ' ' ASN . . . . . . . . . . . . . 94.1 m-20 -66.44 -37.7 85.74 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.49 177.876 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1888 ' ' GLN . . . . . . . . . . . . . 32.6 tp60 -61.88 -48.4 80.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.669 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1889 ' ' LEU . . . . . 0.5 HD12 ' SD ' ' A' 1871 ' ' MET . 1.6 tt -58.94 -42.89 90.88 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.357 0.598 . . . . 0.0 109.472 178.125 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1890 ' ' THR . . . . . . . . . . . . . 90.9 m -61.62 -51.38 68.72 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.18 -0.918 . . . . 0.0 111.659 -178.483 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1891 ' ' SER . . . . . . . . . . . . . 38.6 m -59.81 -46.84 87.98 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.696 -177.113 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1892 ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -67.76 -36.71 80.99 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.446 -178.043 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1893 ' ' TYR . . . . . . . . . . . . . 40.5 t80 -61.98 -36.47 81.57 Favored 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 120.591 -0.443 . . . . 0.0 110.536 177.038 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1894 ' ' GLY . . . . . . . . . . . . . . . -57.46 -38.65 88.18 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.858 -0.687 . . . . 0.0 111.691 177.171 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1895 ' ' ARG . . . . . . . . . . . . . 43.2 ttp-105 -70.6 -45.7 64.81 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.961 0.41 . . . . 0.0 110.098 176.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1896 ' ' LEU . . . . . 0.518 HD13 HG13 ' A' 1964 ' ' VAL . 61.3 tp -56.77 -52.28 65.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.608 -0.724 . . . . 0.0 111.508 -179.658 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1897 ' ' ALA . . . . . . . . . . . . . . . -63.91 -24.5 67.76 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.011 -0.541 . . . . 0.0 111.558 -176.811 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1898 ' ' SER . . . . . . . . . . . . . 64.9 m -80.8 -34.3 34.18 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.069 0.461 . . . . 0.0 110.464 -176.137 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1899 ' ' GLN . . . . . 0.422 ' HG3' ' CG2' ' A' 1856 ' ' THR . 16.1 mm100 -72.27 -14.61 61.81 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.681 179.651 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1900 ' ' ALA . . . . . . . . . . . . . . . -68.47 -26.74 65.64 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.859 -0.609 . . . . 0.0 111.494 179.231 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1901 ' ' LYS . . . . . 0.43 ' HB3' ' CD ' ' A' 1902 ' ' PRO . 85.4 tttt -71.06 -57.87 4.5 Favored Pre-proline 0 CA--C 1.538 0.492 0 C-N-CA 121.096 -0.241 . . . . 0.0 111.173 -178.361 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1902 ' ' PRO . . . . . 0.43 ' CD ' ' HB3' ' A' 1901 ' ' LYS . 31.1 Cg_endo -64.79 -32.34 56.34 Favored 'Trans proline' 0 C--N 1.356 0.923 0 C-N-CA 121.843 1.696 . . . . 0.0 112.169 179.076 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1903 ' ' ALA . . . . . . . . . . . . . . . -68.86 -28.66 66.91 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.985 179.562 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1904 ' ' ALA . . . . . . . . . . . . . . . -78.94 -47.06 17.08 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.97 0.415 . . . . 0.0 110.748 -179.529 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1905 ' ' VAL . . . . . . . . . . . . . 34.9 m -72.49 -27.47 26.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.0 -0.546 . . . . 0.0 111.476 -177.324 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1906 ' ' ALA . . . . . . . . . . . . . . . -105.78 21.98 16.35 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.798 0.332 . . . . 0.0 110.78 179.413 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1907 ' ' ALA . . . . . . . . . . . . . . . -74.31 130.63 40.06 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.309 179.843 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1908 ' ' GLU . . . . . . . . . . . . . 12.1 mp0 -55.11 -47.93 74.31 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.575 -0.739 . . . . 0.0 111.935 175.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1909 ' ' ASN . . . . . 0.603 ' HB2' HG13 ' A' 1912 ' ' ILE . 92.1 m-20 -118.8 163.05 17.46 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.443 -171.28 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1910 ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -56.32 -54.32 46.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.226 -0.897 . . . . 0.0 111.326 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1911 ' ' GLU . . . . . 0.5 ' HB3' ' CD2' ' A' 1915 ' ' HIS . 31.5 mt-10 -66.92 -31.52 72.17 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.779 -173.618 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1912 ' ' ILE . . . . . 0.603 HG13 ' HB2' ' A' 1909 ' ' ASN . 43.1 mt -59.09 -54.05 39.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 C-N-CA 121.1 -0.24 . . . . 0.0 110.747 -177.401 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1913 ' ' GLY . . . . . . . . . . . . . . . -65.55 -31.21 79.4 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.473 -177.701 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1914 ' ' ALA . . . . . . . . . . . . . . . -76.88 -48.91 16.94 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.781 0.324 . . . . 0.0 110.998 -177.695 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1915 ' ' HIS . . . . . 0.626 ' O ' ' HG2' ' A' 1919 ' ' ARG . 60.6 m-70 -59.99 -44.22 94.66 Favored 'General case' 0 CA--C 1.518 -0.257 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.688 -175.334 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1916 ' ' ILE . . . . . 0.469 HG13 ' O ' ' A' 1912 ' ' ILE . 91.6 mt -52.55 -52.42 26.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 O-C-N 123.462 0.476 . . . . 0.0 111.29 -178.781 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1917 ' ' LYS . . . . . . . . . . . . . 56.9 mtmt -66.27 -37.51 85.62 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.293 -177.59 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1918 ' ' HIS . . . . . . . . . . . . . 62.8 m-70 -64.31 -33.4 75.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.816 0.341 . . . . 0.0 111.332 179.103 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1919 ' ' ARG . . . . . 0.626 ' HG2' ' O ' ' A' 1915 ' ' HIS . 26.4 mmt180 -77.69 -47.84 18.21 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.925 -0.31 . . . . 0.0 111.046 -177.063 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1920 ' ' VAL . . . . . . . . . . . . . 34.5 m -66.14 -34.37 69.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 C-N-CA 120.998 -0.281 . . . . 0.0 110.988 -178.785 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1921 ' ' GLN . . . . . . . . . . . . . 53.4 tt0 -62.53 -41.2 98.72 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-O 121.223 0.535 . . . . 0.0 110.105 177.299 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1922 ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -73.89 -35.21 64.66 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.267 178.379 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1923 ' ' LEU . . . . . . . . . . . . . 24.8 mt -59.55 -34.61 72.88 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.409 -0.359 . . . . 0.0 110.442 174.303 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1924 ' ' GLY . . . . . . . . . . . . . . . -57.67 -35.88 75.97 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.881 -0.676 . . . . 0.0 112.26 177.495 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1925 ' ' HIS . . . . . . . . . . . . . 29.7 m170 -78.61 -30.57 46.64 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.998 0.428 . . . . 0.0 110.622 179.686 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1926 ' ' GLY . . . . . . . . . . . . . . . -77.84 -46.29 9.71 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.912 -0.661 . . . . 0.0 112.473 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1927 ' ' CYS . . . . . . . . . . . . . 68.8 m -64.28 -42.25 96.51 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.504 0.192 . . . . 0.0 111.016 -178.595 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1928 ' ' SER . . . . . . . . . . . . . 26.8 p -61.57 -44.92 96.15 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.978 0.418 . . . . 0.0 110.778 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1929 ' ' ALA . . . . . 0.461 ' O ' ' HG2' ' A' 1933 ' ' LYS . . . -62.63 -45.87 90.87 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.588 177.508 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1930 ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.8 -52.4 65.61 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.046 -177.618 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1931 ' ' VAL . . . . . . . . . . . . . 29.1 m -65.23 -28.19 43.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 120.833 0.349 . . . . 0.0 111.243 -176.612 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1932 ' ' THR . . . . . . . . . . . . . 85.7 m -70.5 -41.8 72.17 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.925 0.393 . . . . 0.0 110.21 175.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1933 ' ' LYS . . . . . 0.461 ' HG2' ' O ' ' A' 1929 ' ' ALA . 74.3 mmtt -68.17 -40.57 82.28 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.41 177.611 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1934 ' ' ALA . . . . . 0.479 ' O ' ' HB2' ' A' 1938 ' ' GLN . . . -58.89 -39.8 82.54 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.468 175.608 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1935 ' ' GLY . . . . . . . . . . . . . . . -69.37 -34.23 74.11 Favored Glycine 0 N--CA 1.449 -0.474 0 C-N-CA 120.964 -0.636 . . . . 0.0 112.178 177.686 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1936 ' ' ALA . . . . . . . . . . . . . . . -73.43 -45.35 54.96 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.772 0.32 . . . . 0.0 111.12 -179.497 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1937 ' ' LEU . . . . . 0.514 ' N ' HG21 ' A' 1946 ' ' THR . 37.8 tp -67.48 -24.96 65.65 Favored 'General case' 0 CA--C 1.516 -0.327 0 CA-C-O 121.555 0.693 . . . . 0.0 109.789 178.443 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1938 ' ' GLN . . . . . 0.485 ' HG3' ' O ' ' A' 1879 ' ' PRO . 6.8 tt0 -67.16 -26.9 66.88 Favored 'General case' 0 N--CA 1.444 -0.742 0 CA-C-N 115.029 -0.987 . . . . 0.0 109.8 178.048 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1939 ' ' CYS . . . . . . . . . . . . . 66.2 m -86.17 -43.66 12.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.525 176.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1940 ' ' SER . . . . . . . . . . . . . 14.6 m -114.79 90.11 21.27 Favored Pre-proline 0 C--N 1.325 -0.5 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.331 -179.156 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1941 ' ' PRO . . . . . 0.581 ' HB3' ' HG3' ' A' 1879 ' ' PRO . 40.9 Cg_endo -70.07 -25.16 27.46 Favored 'Trans proline' 0 C--O 1.235 0.336 0 C-N-CA 122.879 2.386 . . . . 0.0 113.362 -174.71 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1942 ' ' SER . . . . . . . . . . . . . 20.1 m -99.74 7.01 45.42 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.746 0.308 . . . . 0.0 111.138 -176.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1943 ' ' ASP . . . . . . . . . . . . . 21.1 t70 -86.64 104.55 16.17 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.137 0.494 . . . . 0.0 109.828 179.15 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1944 ' ' VAL . . . . . . . . . . . . . 9.0 p -69.96 -27.92 34.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 116.046 -0.524 . . . . 0.0 111.047 -175.534 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1945 ' ' TYR . . . . . 0.48 ' O ' ' HG3' ' A' 1949 ' ' GLU . 91.4 m-85 -61.85 -53.59 53.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.939 0.399 . . . . 0.0 110.513 -178.429 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1946 ' ' THR . . . . . 0.514 HG21 ' N ' ' A' 1937 ' ' LEU . 62.8 m -60.85 -40.48 93.05 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.625 178.466 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1947 ' ' LYS . . . . . 0.414 ' O ' HD13 ' A' 1951 ' ' ILE . 30.0 ttpt -60.9 -47.58 85.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.165 178.891 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1948 ' ' LYS . . . . . 0.493 ' HE2' ' HA ' ' A' 1948 ' ' LYS . 7.6 mmpt? -54.22 -49.84 68.52 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.912 179.086 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1949 ' ' GLU . . . . . 0.48 ' HG3' ' O ' ' A' 1945 ' ' TYR . 34.2 mt-10 -57.91 -41.79 83.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.782 -179.612 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1950 ' ' LEU . . . . . 0.698 HD11 HD22 ' A' 1882 ' ' LEU . 6.4 tt -61.32 -49.92 75.07 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.08 179.733 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1951 ' ' ILE . . . . . 0.464 ' O ' ' HG2' ' A' 1955 ' ' ARG . 1.8 mp -61.38 -49.11 85.87 Favored 'Isoleucine or valine' 0 C--O 1.235 0.338 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.082 179.383 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1952 ' ' GLU . . . . . 0.562 ' O ' ' HG3' ' A' 1956 ' ' ARG . 45.8 mt-10 -64.4 -33.92 76.97 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.581 -176.846 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1953 ' ' CYS . . . . . . . . . . . . . 35.1 t -72.42 -45.97 57.22 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.731 0.3 . . . . 0.0 110.977 -179.701 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1954 ' ' ALA . . . . . . . . . . . . . . . -64.1 -43.0 96.69 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 112.042 0.386 . . . . 0.0 112.042 -175.312 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1955 ' ' ARG . . . . . 0.464 ' HG2' ' O ' ' A' 1951 ' ' ILE . 8.5 ptp180 -64.71 -24.14 67.47 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.724 0.297 . . . . 0.0 111.196 -179.003 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1956 ' ' ARG . . . . . 0.562 ' HG3' ' O ' ' A' 1952 ' ' GLU . 80.1 mtp180 -78.65 -47.91 16.1 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-O 120.783 0.325 . . . . 0.0 110.739 177.658 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1957 ' ' VAL . . . . . 0.511 ' O ' HG11 ' A' 1961 ' ' VAL . 14.9 m -68.32 -22.87 27.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.555 -174.916 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1958 ' ' SER . . . . . 0.529 ' O ' HG23 ' A' 1961 ' ' VAL . 48.4 t -63.57 -26.1 68.54 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.995 0.426 . . . . 0.0 110.357 177.15 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1959 ' ' GLU . . . . . . . . . . . . . 44.5 mm-40 -82.11 -34.18 29.37 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.043 0.449 . . . . 0.0 110.494 173.429 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1960 ' ' LYS . . . . . . . . . . . . . 34.0 mtpt -68.41 -29.51 68.21 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.26 -178.262 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1961 ' ' VAL . . . . . 0.753 HG21 ' HB1' ' A' 1865 ' ' ALA . 13.9 m -72.55 -33.93 46.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-O 121.202 0.525 . . . . 0.0 110.025 173.363 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1962 ' ' SER . . . . . 0.553 ' HA ' HD12 ' A' 1965 ' ' LEU . 23.5 t -68.94 -24.57 64.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.76 -0.655 . . . . 0.0 109.676 178.627 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1963 ' ' HIS . . . . . . . . . . . . . 55.1 m170 -70.52 -30.89 67.76 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.088 176.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1964 ' ' VAL . . . . . 0.518 HG13 HD13 ' A' 1896 ' ' LEU . 97.4 t -67.24 -46.24 84.48 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.296 0 N-CA-C 108.92 -0.77 . . . . 0.0 108.92 172.499 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1965 ' ' LEU . . . . . 0.553 HD12 ' HA ' ' A' 1962 ' ' SER . 59.9 mt -54.62 -50.23 68.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.049 -0.978 . . . . 0.0 110.7 178.616 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1966 ' ' ALA . . . . . . . . . . . . . . . -69.18 -40.61 78.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.847 -176.826 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1967 ' ' ALA . . . . . . . . . . . . . . . -60.09 -33.65 72.39 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.085 0.469 . . . . 0.0 111.294 -178.683 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1968 ' ' LEU . . . . . 0.858 HD11 ' HG3' ' A' 1857 ' ' MET . 51.7 mt -76.97 -18.08 58.46 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.452 -179.043 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1969 ' ' GLN . . . . . 0.465 ' HG3' ' O ' ' A' 1965 ' ' LEU . 76.7 mt-30 -94.46 8.93 40.39 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.856 0.36 . . . . 0.0 111.391 -175.528 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1970 ' ' ALA . . . . . . . . . . . . . . . -89.63 31.37 0.94 Allowed 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.548 -176.85 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1971 ' ' GLY . . . . . . . . . . . . . . . -81.11 -124.45 0.64 Allowed Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.999 -0.62 . . . . 0.0 112.739 -178.738 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1972 ' ' ASN . . . . . . . . . . . . . 28.0 t-20 -103.16 103.54 13.6 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.976 -0.379 . . . . 0.0 109.976 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1973 ' ' ARG . . . . . . . . . . . . . 21.3 mtp180 . . . . . 0 C--O 1.247 0.922 0 CA-C-O 118.711 -0.661 . . . . 0.0 110.266 -176.971 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A 1837 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.701 0 N-CA-C 112.161 -0.376 . . . . 0.0 112.161 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A 1838 ' ' ILE . . . . . . . . . . . . . 66.7 mt 60.04 94.22 0.04 OUTLIER 'Isoleucine or valine' 0 C--O 1.234 0.266 0 CA-C-O 121.32 0.581 . . . . 0.0 111.122 -178.835 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1839 ' ' ASP . . . . . 0.429 ' HA ' ' HD3' ' A' 1840 ' ' PRO . 8.7 p-10 -104.18 121.61 46.98 Favored Pre-proline 0 C--N 1.321 -0.649 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.626 179.304 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1840 ' ' PRO . . . . . 0.429 ' HD3' ' HA ' ' A' 1839 ' ' ASP . 14.6 Cg_exo -69.65 -37.2 9.75 Favored 'Trans proline' 0 C--N 1.343 0.242 0 C-N-CA 123.146 2.564 . . . . 0.0 112.215 179.837 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1841 ' ' PHE . . . . . . . . . . . . . 23.3 p90 -119.37 136.4 54.29 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.183 179.13 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1842 ' ' THR . . . . . . . . . . . . . 30.5 p -103.54 3.13 34.37 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.24 -171.572 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1843 ' ' MET . . . . . . . . . . . . . 25.7 mmt -128.85 124.93 36.56 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.487 -175.408 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1844 ' ' GLY . . . . . . . . . . . . . . . -100.51 -143.2 13.82 Favored Glycine 0 N--CA 1.445 -0.707 0 N-CA-C 110.142 -1.183 . . . . 0.0 110.142 168.419 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1845 ' ' ASP . . . . . 0.46 ' HB2' ' HG2' ' A' 1847 ' ' GLU . 3.1 p-10 -170.87 133.45 0.95 Allowed Pre-proline 0 C--N 1.326 -0.422 0 CA-C-N 117.307 0.553 . . . . 0.0 111.239 174.56 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1846 ' ' PRO . . . . . . . . . . . . . 84.2 Cg_endo -101.02 18.74 0.28 Allowed 'Trans proline' 0 N--CA 1.451 -0.974 0 C-N-CA 123.623 2.882 . . . . 0.0 111.017 168.747 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1847 ' ' GLU . . . . . 0.46 ' HG2' ' HB2' ' A' 1845 ' ' ASP . 13.5 pt-20 -123.54 40.61 3.68 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.518 -0.765 . . . . 0.0 111.131 -170.886 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1848 ' ' GLY . . . . . . . . . . . . . . . -108.91 23.62 23.29 Favored Glycine 0 N--CA 1.448 -0.515 0 C-N-CA 120.738 -0.744 . . . . 0.0 113.079 -178.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1849 ' ' SER . . . . . . . . . . . . . 21.6 t -102.42 -31.63 10.38 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.117 0.485 . . . . 0.0 110.109 177.223 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1850 ' ' PHE . . . . . . . . . . . . . 79.1 t80 -66.64 -20.9 66.09 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.393 178.134 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1851 ' ' VAL . . . . . . . . . . . . . 33.7 m -54.47 -34.9 29.76 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.336 0 N-CA-C 112.804 0.668 . . . . 0.0 112.804 -174.203 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1852 ' ' ASP . . . . . . . . . . . . . 25.7 t70 -68.98 -49.27 59.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.82 0.343 . . . . 0.0 110.735 -178.697 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1853 ' ' TYR . . . . . 0.514 ' O ' ' HG2' ' A' 1857 ' ' MET . 62.0 m-85 -62.21 -37.41 85.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.796 -0.638 . . . . 0.0 109.851 178.116 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1854 ' ' GLN . . . . . 0.571 ' HG3' ' HB3' ' A' 1968 ' ' LEU . 26.5 tt0 -56.1 -51.95 66.08 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.172 -0.922 . . . . 0.0 110.532 174.182 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1855 ' ' THR . . . . . 0.525 ' O ' ' HG2' ' A' 1859 ' ' ARG . 59.0 m -56.08 -44.81 79.34 Favored 'General case' 0 CA--C 1.531 0.235 0 CA-C-N 115.544 -0.753 . . . . 0.0 112.436 -173.583 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1856 ' ' THR . . . . . 0.526 HG23 ' N ' ' A' 1857 ' ' MET . 8.9 t -65.56 -49.4 69.01 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.967 0.413 . . . . 0.0 111.927 -175.274 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1857 ' ' MET . . . . . 0.545 ' HG3' ' CD1' ' A' 1968 ' ' LEU . 6.3 ptm -82.48 -18.69 40.78 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 112.578 0.584 . . . . 0.0 112.578 -172.016 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1858 ' ' VAL . . . . . 0.527 HG12 ' O ' ' A' 1854 ' ' GLN . 33.2 m -67.57 -38.73 81.04 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.305 0 C-N-CA 119.466 -0.894 . . . . 0.0 109.08 171.081 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1859 ' ' ARG . . . . . 0.525 ' HG2' ' O ' ' A' 1855 ' ' THR . 21.0 mmm180 -66.64 -43.92 83.33 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.026 -0.533 . . . . 0.0 109.925 177.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1860 ' ' THR . . . . . 0.476 ' O ' HG13 ' A' 1864 ' ' ILE . 62.3 m -64.37 -42.56 96.12 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.404 -0.816 . . . . 0.0 111.462 -178.487 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1861 ' ' ALA . . . . . . . . . . . . . . . -58.82 -41.35 86.64 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.94 0.4 . . . . 0.0 110.901 179.441 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1862 ' ' LYS . . . . . . . . . . . . . 48.0 mttm -66.04 -38.1 87.55 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.485 178.773 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1863 ' ' ALA . . . . . . . . . . . . . . . -67.47 -36.8 81.85 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.588 -179.575 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1864 ' ' ILE . . . . . 0.476 HG13 ' O ' ' A' 1860 ' ' THR . 70.7 mt -67.53 -43.96 86.84 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.058 175.598 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1865 ' ' ALA . . . . . 0.741 ' HB1' HG21 ' A' 1961 ' ' VAL . . . -57.26 -44.94 84.35 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.885 -178.785 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1866 ' ' VAL . . . . . 0.645 ' HA ' ' HG2' ' A' 1869 ' ' GLN . 10.0 p -71.99 -30.18 35.8 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 C-N-CA 120.564 -0.454 . . . . 0.0 110.603 179.648 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1867 ' ' THR . . . . . . . . . . . . . 97.1 m -69.31 -46.35 67.34 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.732 0.301 . . . . 0.0 110.867 178.577 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1868 ' ' VAL . . . . . . . . . . . . . 32.7 m -66.94 -32.19 56.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-O 120.788 0.328 . . . . 0.0 110.706 -179.369 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1869 ' ' GLN . . . . . 0.645 ' HG2' ' HA ' ' A' 1866 ' ' VAL . 3.0 pt20 -78.65 -27.94 45.34 Favored 'General case' 0 N--CA 1.45 -0.427 0 C-N-CA 120.782 -0.367 . . . . 0.0 110.396 178.693 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1870 ' ' GLU . . . . . . . . . . . . . 29.0 mt-10 -61.77 -37.54 84.71 Favored 'General case' 0 C--O 1.222 -0.347 0 N-CA-C 109.827 -0.435 . . . . 0.0 109.827 171.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1871 ' ' MET . . . . . 0.44 ' HB3' HD21 ' A' 1950 ' ' LEU . 8.1 mtt -55.44 -48.88 73.76 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.948 178.257 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1872 ' ' VAL . . . . . 0.994 ' HB ' HG13 ' A' 1951 ' ' ILE . 1.6 m -70.82 -29.1 36.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-O 121.489 0.661 . . . . 0.0 110.68 -177.347 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1873 ' ' THR . . . . . . . . . . . . . 49.7 m -80.28 -36.93 33.78 Favored 'General case' 0 N--CA 1.441 -0.898 0 CA-C-N 115.072 -0.967 . . . . 0.0 111.619 -177.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1874 ' ' LYS . . . . . . . . . . . . . 68.8 mmtt -74.28 -38.54 63.38 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.091 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1875 ' ' SER . . . . . 0.606 ' HB3' HD11 ' A' 1882 ' ' LEU . 3.9 p -61.53 -10.96 9.07 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 112.431 0.53 . . . . 0.0 112.431 -175.252 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1876 ' ' ASN . . . . . . . . . . . . . 13.7 m120 -61.85 -43.61 98.49 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.93 0.395 . . . . 0.0 110.61 175.285 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1877 ' ' THR . . . . . . . . . . . . . 43.5 p -130.81 -7.75 4.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 0.0 112.191 -174.837 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1878 ' ' SER . . . . . . . . . . . . . 36.2 m -142.25 105.15 5.58 Favored Pre-proline 0 C--N 1.322 -0.591 0 CA-C-N 116.566 -0.288 . . . . 0.0 111.304 -173.401 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1879 ' ' PRO . . . . . 0.709 ' HA ' HD13 ' A' 1882 ' ' LEU . 30.7 Cg_endo -90.88 -24.28 0.46 Allowed 'Trans proline' 0 N--CA 1.448 -1.195 0 C-N-CA 121.705 1.603 . . . . 0.0 112.797 176.356 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1880 ' ' GLU . . . . . . . . . . . . . 44.0 mm-40 -73.09 -30.66 63.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.763 0.316 . . . . 0.0 110.746 -178.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1881 ' ' GLU . . . . . . . . . . . . . 36.8 mm-40 -65.09 -15.18 62.09 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.394 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1882 ' ' LEU . . . . . 0.709 HD13 ' HA ' ' A' 1879 ' ' PRO . 1.0 OUTLIER -78.97 -14.14 59.38 Favored 'General case' 0 N--CA 1.44 -0.926 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.052 -177.553 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A 1883 ' ' GLY . . . . . . . . . . . . . . . -62.25 -60.34 8.08 Favored Glycine 0 CA--C 1.52 0.396 0 C-N-CA 120.918 -0.658 . . . . 0.0 111.898 175.307 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1884 ' ' PRO . . . . . . . . . . . . . 34.8 Cg_exo -58.86 -39.63 79.65 Favored 'Trans proline' 0 C--N 1.349 0.586 0 C-N-CA 122.64 2.227 . . . . 0.0 112.241 174.816 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1885 ' ' LEU . . . . . . . . . . . . . 48.2 mt -61.38 -34.95 76.18 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-N 116.597 -0.274 . . . . 0.0 111.312 -179.529 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1886 ' ' ALA . . . . . 0.494 ' HB2' ' HB ' ' A' 1931 ' ' VAL . . . -64.7 -43.46 93.42 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.959 0.409 . . . . 0.0 110.524 177.147 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1887 ' ' ASN . . . . . . . . . . . . . 92.6 m-20 -66.68 -40.27 88.47 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.154 -0.475 . . . . 0.0 109.87 177.279 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1888 ' ' GLN . . . . . . . . . . . . . 53.8 tp60 -58.28 -50.88 72.02 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.39 -0.823 . . . . 0.0 110.974 178.305 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1889 ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -54.99 -52.33 63.43 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 177.356 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1890 ' ' THR . . . . . . . . . . . . . 79.2 m -55.12 -42.11 72.54 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 114.849 -1.069 . . . . 0.0 111.763 -179.646 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1891 ' ' SER . . . . . . . . . . . . . 32.4 m -65.5 -48.69 71.72 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.2 -177.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1892 ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -71.54 -35.07 70.54 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.563 -0.29 . . . . 0.0 111.437 -178.125 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1893 ' ' TYR . . . . . . . . . . . . . 20.9 t80 -58.93 -43.54 91.18 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 110.091 -0.337 . . . . 0.0 110.091 173.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1894 ' ' GLY . . . . . 0.434 ' O ' ' HB2' ' A' 1898 ' ' SER . . . -58.59 -33.85 73.81 Favored Glycine 0 N--CA 1.449 -0.459 0 C-N-CA 121.047 -0.597 . . . . 0.0 112.013 178.048 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1895 ' ' ARG . . . . . . . . . . . . . 45.4 ttm180 -73.85 -45.86 48.48 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.846 0.355 . . . . 0.0 110.206 178.591 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1896 ' ' LEU . . . . . 0.657 HD12 HG13 ' A' 1964 ' ' VAL . 46.1 tp -60.67 -49.72 76.39 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.805 179.262 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1897 ' ' ALA . . . . . . . . . . . . . . . -65.26 -23.07 66.95 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.217 -179.377 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1898 ' ' SER . . . . . 0.434 ' HB2' ' O ' ' A' 1894 ' ' GLY . 9.1 t -79.39 -36.21 39.51 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 109.581 -0.526 . . . . 0.0 109.581 -177.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1899 ' ' GLN . . . . . 0.478 ' HA ' ' OE1' ' A' 1899 ' ' GLN . 8.1 mm-40 -76.33 -13.8 60.13 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.728 179.502 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1900 ' ' ALA . . . . . . . . . . . . . . . -67.93 -22.87 65.04 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.98 178.271 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1901 ' ' LYS . . . . . 0.652 ' HB3' ' HD3' ' A' 1902 ' ' PRO . 11.3 tmtt? -75.08 -57.43 1.76 Allowed Pre-proline 0 CA--C 1.541 0.616 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.861 -178.386 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1902 ' ' PRO . . . . . 0.652 ' HD3' ' HB3' ' A' 1901 ' ' LYS . 15.1 Cg_exo -67.81 -29.5 35.19 Favored 'Trans proline' 0 C--N 1.357 1.013 0 C-N-CA 122.08 1.853 . . . . 0.0 112.239 -178.83 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1903 ' ' ALA . . . . . . . . . . . . . . . -69.12 -34.13 74.56 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.791 179.383 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1904 ' ' ALA . . . . . . . . . . . . . . . -78.14 -38.01 44.77 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.053 -177.804 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1905 ' ' VAL . . . . . 0.449 HG21 ' HA ' ' A' 1902 ' ' PRO . 21.9 m -74.3 -26.55 20.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.365 -177.305 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1906 ' ' ALA . . . . . . . . . . . . . . . -96.94 -3.67 41.35 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.661 0.267 . . . . 0.0 111.04 179.109 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1907 ' ' ALA . . . . . . . . . . . . . . . -57.56 122.01 11.7 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.542 -177.28 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1908 ' ' GLU . . . . . 0.517 ' HB2' HD22 ' A' 1972 ' ' ASN . 55.9 mp0 -66.31 -18.81 65.58 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.553 -0.749 . . . . 0.0 111.389 -179.511 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1909 ' ' ASN . . . . . 0.74 ' HB3' HG13 ' A' 1912 ' ' ILE . 18.9 t-20 -127.71 154.65 45.08 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.735 -171.063 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1910 ' ' GLU . . . . . . . . . . . . . 15.1 tp10 -56.47 -51.3 68.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.625 177.027 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1911 ' ' GLU . . . . . 0.504 ' HB3' ' CD2' ' A' 1915 ' ' HIS . 7.7 mt-10 -77.14 -31.47 55.69 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.604 -0.726 . . . . 0.0 112.247 -172.197 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1912 ' ' ILE . . . . . 0.74 HG13 ' HB3' ' A' 1909 ' ' ASN . 86.1 mt -52.58 -53.57 19.64 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.351 0 CA-C-O 120.738 0.304 . . . . 0.0 110.526 -179.795 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1913 ' ' GLY . . . . . . . . . . . . . . . -73.48 -29.21 64.21 Favored Glycine 0 N--CA 1.449 -0.477 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.381 -179.426 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1914 ' ' ALA . . . . . . . . . . . . . . . -69.09 -50.88 44.22 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 110.306 -0.257 . . . . 0.0 110.306 -178.546 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1915 ' ' HIS . . . . . 0.616 ' O ' ' HG2' ' A' 1919 ' ' ARG . 76.5 m-70 -56.71 -43.81 80.95 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.964 -177.227 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1916 ' ' ILE . . . . . . . . . . . . . 93.2 mt -55.47 -58.26 5.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.236 179.793 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1917 ' ' LYS . . . . . . . . . . . . . 55.3 mtmt -66.15 -24.66 66.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.338 -178.287 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1918 ' ' HIS . . . . . . . . . . . . . 2.2 m80 -73.5 -39.85 64.53 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.001 0.429 . . . . 0.0 111.09 177.209 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1919 ' ' ARG . . . . . 0.623 ' HD2' ' HB3' ' A' 1963 ' ' HIS . 27.2 mmt180 -81.27 -36.44 29.89 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.286 -0.416 . . . . 0.0 112.063 -173.881 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1920 ' ' VAL . . . . . . . . . . . . . 20.8 m -68.84 -23.84 27.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 121.215 0.531 . . . . 0.0 109.844 175.804 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1921 ' ' GLN . . . . . . . . . . . . . 24.0 tm0? -67.71 -35.22 78.38 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.6 -0.727 . . . . 0.0 109.974 177.211 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1922 ' ' GLU . . . . . 0.638 ' HB3' ' HD3' ' A' 1960 ' ' LYS . 45.9 mt-10 -62.26 -48.59 79.27 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.706 0.765 . . . . 0.0 109.794 174.274 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1923 ' ' LEU . . . . . 0.64 ' HG ' ' SG ' ' A' 1927 ' ' CYS . 20.1 tp -65.35 -28.81 69.55 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 114.767 -1.106 . . . . 0.0 111.231 -174.502 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1924 ' ' GLY . . . . . . . . . . . . . . . -54.83 -51.53 52.48 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 121.239 -0.505 . . . . 0.0 112.794 -179.438 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1925 ' ' HIS . . . . . . . . . . . . . 32.5 m170 -70.67 -34.95 72.55 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.812 0.339 . . . . 0.0 110.52 179.562 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1926 ' ' GLY . . . . . 0.415 ' O ' ' HB2' ' A' 1930 ' ' LEU . . . -63.3 -43.2 98.79 Favored Glycine 0 N--CA 1.448 -0.512 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.254 179.441 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1927 ' ' CYS . . . . . 0.64 ' SG ' ' HG ' ' A' 1923 ' ' LEU . 75.6 m -65.46 -46.29 80.39 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.351 0.12 . . . . 0.0 111.175 -178.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1928 ' ' SER . . . . . . . . . . . . . 28.8 p -64.29 -37.65 88.23 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.817 0.341 . . . . 0.0 110.932 -177.16 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1929 ' ' ALA . . . . . . . . . . . . . . . -70.64 -45.54 64.98 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.68 177.556 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1930 ' ' LEU . . . . . 0.415 ' HB2' ' O ' ' A' 1926 ' ' GLY . 0.4 OUTLIER -62.57 -50.3 71.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.432 -177.19 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A 1931 ' ' VAL . . . . . 0.494 ' HB ' ' HB2' ' A' 1886 ' ' ALA . 26.6 m -64.25 -28.02 43.98 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.172 0 CA-C-O 120.866 0.365 . . . . 0.0 111.196 -176.527 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1932 ' ' THR . . . . . . . . . . . . . 75.0 m -71.22 -42.03 69.45 Favored 'General case' 0 N--CA 1.451 -0.391 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.417 176.449 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1933 ' ' LYS . . . . . . . . . . . . . 32.9 mmtp -73.36 -26.96 61.23 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.888 179.163 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1934 ' ' ALA . . . . . . . . . . . . . . . -61.01 -50.15 74.54 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.147 0.499 . . . . 0.0 109.97 174.152 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1935 ' ' GLY . . . . . 0.478 ' O ' ' HG3' ' A' 1938 ' ' GLN . . . -69.7 -30.45 70.67 Favored Glycine 0 N--CA 1.447 -0.596 0 CA-C-N 115.616 -0.72 . . . . 0.0 112.115 177.098 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1936 ' ' ALA . . . . . . . . . . . . . . . -69.66 -39.62 76.96 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.743 0.306 . . . . 0.0 110.93 179.432 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1937 ' ' LEU . . . . . . . . . . . . . 64.9 tp -69.43 -34.26 74.17 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.319 -178.051 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1938 ' ' GLN . . . . . 0.644 ' HB3' ' O ' ' A' 1879 ' ' PRO . 0.0 OUTLIER -72.32 -25.69 61.66 Favored 'General case' 0 C--N 1.321 -0.64 0 C-N-CA 119.649 -0.821 . . . . 0.0 110.505 177.303 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A 1939 ' ' CYS . . . . . . . . . . . . . 74.7 m -76.19 -33.44 59.29 Favored 'General case' 0 CA--C 1.532 0.258 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.802 173.282 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1940 ' ' SER . . . . . . . . . . . . . 33.1 m -129.21 78.61 75.75 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 120.829 0.347 . . . . 0.0 110.536 177.837 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1941 ' ' PRO . . . . . 0.508 ' HB3' ' HG3' ' A' 1879 ' ' PRO . 7.1 Cg_exo -74.81 -24.53 13.16 Favored 'Trans proline' 0 C--N 1.342 0.233 0 C-N-CA 123.179 2.586 . . . . 0.0 112.95 -173.596 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1942 ' ' SER . . . . . . . . . . . . . 20.4 m -84.71 -15.29 45.7 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.762 -177.542 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1943 ' ' ASP . . . . . . . . . . . . . 36.4 t70 -81.65 112.44 18.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.009 -179.711 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1944 ' ' VAL . . . . . . . . . . . . . 8.0 p -71.07 -28.25 32.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.972 -176.204 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1945 ' ' TYR . . . . . 0.42 ' O ' ' HG3' ' A' 1949 ' ' GLU . 95.3 m-85 -69.78 -42.23 74.08 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 111.748 0.277 . . . . 0.0 111.748 -173.817 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1946 ' ' THR . . . . . . . . . . . . . 91.8 m -57.95 -40.24 80.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.17 0.509 . . . . 0.0 110.102 173.389 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1947 ' ' LYS . . . . . 0.44 ' HB3' ' HE2' ' A' 1947 ' ' LYS . 32.4 ttpt -66.43 -45.97 78.08 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.544 177.783 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1948 ' ' LYS . . . . . 0.515 ' O ' ' HG3' ' A' 1952 ' ' GLU . 0.0 OUTLIER -53.38 -53.25 53.89 Favored 'General case' 0 CA--C 1.519 -0.242 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.585 -179.95 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A 1949 ' ' GLU . . . . . 0.42 ' HG3' ' O ' ' A' 1945 ' ' TYR . 35.1 mt-10 -55.76 -38.45 69.86 Favored 'General case' 0 C--O 1.225 -0.192 0 O-C-N 123.73 0.643 . . . . 0.0 111.191 -177.786 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1950 ' ' LEU . . . . . 0.675 HD12 HD23 ' A' 1882 ' ' LEU . 9.7 tt -63.1 -48.84 76.87 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.503 -179.863 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1951 ' ' ILE . . . . . 0.994 HG13 ' HB ' ' A' 1872 ' ' VAL . 1.8 mp -63.04 -40.53 89.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 121.092 0.472 . . . . 0.0 110.027 177.618 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1952 ' ' GLU . . . . . 0.567 ' O ' ' HG3' ' A' 1956 ' ' ARG . 43.4 mt-10 -69.43 -22.48 63.67 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.576 -179.035 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1953 ' ' CYS . . . . . . . . . . . . . 63.8 m -80.16 -43.97 20.68 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.3 177.404 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1954 ' ' ALA . . . . . . . . . . . . . . . -59.61 -41.69 90.95 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.099 -179.034 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1955 ' ' ARG . . . . . 0.403 ' HG3' ' O ' ' A' 1952 ' ' GLU . 0.0 OUTLIER -63.01 -24.44 67.92 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.835 0.35 . . . . 0.0 110.949 179.878 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A 1956 ' ' ARG . . . . . 0.567 ' HG3' ' O ' ' A' 1952 ' ' GLU . 97.8 mtt180 -76.29 -48.59 19.62 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.185 0.517 . . . . 0.0 109.883 177.566 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1957 ' ' VAL . . . . . 0.586 ' O ' HG11 ' A' 1961 ' ' VAL . 13.0 m -74.2 -27.87 22.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.833 -0.622 . . . . 0.0 111.868 -173.371 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1958 ' ' SER . . . . . 0.573 ' O ' HG23 ' A' 1961 ' ' VAL . 14.9 m -65.31 -24.62 67.32 Favored 'General case' 0 CA--C 1.531 0.232 0 CA-C-O 121.198 0.523 . . . . 0.0 110.365 179.902 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1959 ' ' GLU . . . . . . . . . . . . . 28.0 mm-40 -80.24 -35.07 36.64 Favored 'General case' 0 CA--C 1.517 -0.326 0 N-CA-C 109.919 -0.4 . . . . 0.0 109.919 173.474 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1960 ' ' LYS . . . . . 0.638 ' HD3' ' HB3' ' A' 1922 ' ' GLU . 67.6 mttm -66.44 -35.11 79.47 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.553 -179.358 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1961 ' ' VAL . . . . . 0.741 HG21 ' HB1' ' A' 1865 ' ' ALA . 3.8 m -67.07 -34.41 69.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 N-CA-C 109.548 -0.538 . . . . 0.0 109.548 174.734 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1962 ' ' SER . . . . . 0.558 ' HA ' HD11 ' A' 1965 ' ' LEU . 35.5 m -73.33 -25.16 60.51 Favored 'General case' 0 N--CA 1.453 -0.319 0 CA-C-N 115.627 -0.715 . . . . 0.0 109.881 178.497 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1963 ' ' HIS . . . . . 0.623 ' HB3' ' HD2' ' A' 1919 ' ' ARG . 63.6 m170 -69.31 -35.08 75.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.179 176.087 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1964 ' ' VAL . . . . . 0.657 HG13 HD12 ' A' 1896 ' ' LEU . 66.5 t -65.75 -44.86 93.05 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.251 0 N-CA-C 108.888 -0.782 . . . . 0.0 108.888 174.511 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1965 ' ' LEU . . . . . 0.558 HD11 ' HA ' ' A' 1962 ' ' SER . 83.0 mt -55.53 -49.67 72.02 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.369 -0.832 . . . . 0.0 110.679 177.439 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1966 ' ' ALA . . . . . . . . . . . . . . . -63.01 -26.83 69.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.697 -179.532 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1967 ' ' ALA . . . . . . . . . . . . . . . -78.72 -34.86 45.64 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.075 0.464 . . . . 0.0 110.932 179.199 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1968 ' ' LEU . . . . . 0.571 ' HB3' ' HG3' ' A' 1854 ' ' GLN . 45.8 mt -79.05 -38.81 35.55 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.804 -0.634 . . . . 0.0 111.194 -176.236 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1969 ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -76.92 3.8 11.31 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.291 176.452 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1970 ' ' ALA . . . . . . . . . . . . . . . -86.49 151.47 23.48 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.073 176.54 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1971 ' ' GLY . . . . . . . . . . . . . . . -137.84 -153.59 6.34 Favored Glycine 0 N--CA 1.446 -0.642 0 C-N-CA 120.36 -0.924 . . . . 0.0 112.314 -177.839 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1972 ' ' ASN . . . . . 0.517 HD22 ' HB2' ' A' 1908 ' ' GLU . 34.1 m-80 -98.71 4.41 47.83 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.972 0.415 . . . . 0.0 110.723 179.345 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1973 ' ' ARG . . . . . 0.441 HH11 ' HD3' ' A' 1973 ' ' ARG . 38.5 mtt-85 . . . . . 0 C--O 1.249 1.04 0 CA-C-O 118.425 -0.797 . . . . 0.0 110.17 -175.727 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1837 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.652 0 N-CA-C 111.918 -0.473 . . . . 0.0 111.918 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A 1838 ' ' ILE . . . . . . . . . . . . . 67.1 mt -82.44 101.55 7.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-O 121.007 0.432 . . . . 0.0 110.364 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1839 ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -101.0 152.84 37.95 Favored Pre-proline 0 C--N 1.32 -0.697 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.371 178.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1840 ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -71.97 1.32 6.0 Favored 'Trans proline' 0 N--CA 1.465 -0.186 0 C-N-CA 122.85 2.366 . . . . 0.0 111.841 179.117 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1841 ' ' PHE . . . . . . . . . . . . . 56.9 m-85 -103.29 -10.0 19.06 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.667 -0.697 . . . . 0.0 109.923 177.442 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1842 ' ' THR . . . . . . . . . . . . . 38.7 p -118.72 99.24 6.66 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.255 179.079 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1843 ' ' MET . . . . . 0.623 ' SD ' ' HA ' ' A' 1849 ' ' SER . 19.7 mmt -83.03 136.51 34.47 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 120.817 0.342 . . . . 0.0 110.513 -176.697 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1844 ' ' GLY . . . . . 0.719 ' H ' HG12 ' A' 1851 ' ' VAL . . . -71.89 -26.43 72.66 Favored Glycine 0 N--CA 1.45 -0.416 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.972 177.708 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1845 ' ' ASP . . . . . . . . . . . . . 3.6 p30 -101.97 154.76 37.13 Favored Pre-proline 0 C--N 1.325 -0.495 0 N-CA-C 109.221 -0.659 . . . . 0.0 109.221 175.079 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1846 ' ' PRO . . . . . . . . . . . . . 83.4 Cg_endo -95.22 12.95 1.37 Allowed 'Trans proline' 0 N--CA 1.452 -0.912 0 C-N-CA 122.686 2.258 . . . . 0.0 113.165 -178.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1847 ' ' GLU . . . . . 0.488 ' CB ' ' HG2' ' A' 1908 ' ' GLU . 6.3 pt-20 -110.42 -15.69 13.87 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 112.582 0.586 . . . . 0.0 112.582 -173.471 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1848 ' ' GLY . . . . . . . . . . . . . . . 160.74 -148.22 16.02 Favored Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 120.247 -0.978 . . . . 0.0 113.055 173.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1849 ' ' SER . . . . . 0.623 ' HA ' ' SD ' ' A' 1843 ' ' MET . 5.0 p -92.03 33.24 1.07 Allowed 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.361 0.601 . . . . 0.0 110.547 179.715 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1850 ' ' PHE . . . . . . . . . . . . . 72.4 t80 -63.5 -26.55 68.76 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.357 -0.838 . . . . 0.0 110.74 -176.445 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1851 ' ' VAL . . . . . 0.719 HG12 ' H ' ' A' 1844 ' ' GLY . 35.4 m -54.83 -37.6 41.42 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.182 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.995 178.529 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1852 ' ' ASP . . . . . . . . . . . . . 31.7 t70 -72.5 -51.76 18.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.768 0.318 . . . . 0.0 110.425 -177.013 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1853 ' ' TYR . . . . . 0.435 ' O ' ' HG2' ' A' 1857 ' ' MET . 75.1 m-85 -61.0 -40.83 95.0 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.953 179.824 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1854 ' ' GLN . . . . . 0.849 ' HG3' ' HB3' ' A' 1968 ' ' LEU . 6.4 tt0 -56.03 -60.25 3.75 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.812 0.339 . . . . 0.0 110.374 176.27 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1855 ' ' THR . . . . . 0.657 ' O ' ' HG2' ' A' 1859 ' ' ARG . 17.3 m -59.25 -45.96 89.77 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.615 -175.83 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1856 ' ' THR . . . . . 0.463 HG21 ' N ' ' A' 1857 ' ' MET . 2.9 t -63.37 -45.8 89.48 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.846 -172.663 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1857 ' ' MET . . . . . 0.62 ' HB2' HD11 ' A' 1896 ' ' LEU . 22.6 ptm -82.63 -25.3 33.27 Favored 'General case' 0 C--N 1.329 -0.306 0 O-C-N 122.028 -0.42 . . . . 0.0 111.669 -172.501 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1858 ' ' VAL . . . . . 0.459 HG11 ' O ' ' A' 1854 ' ' GLN . 25.7 m -71.45 -31.15 42.06 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.108 0 C-N-CA 119.773 -0.771 . . . . 0.0 109.667 174.515 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1859 ' ' ARG . . . . . 0.657 ' HG2' ' O ' ' A' 1855 ' ' THR . 22.6 mmt180 -68.64 -35.24 77.01 Favored 'General case' 0 C--N 1.333 -0.148 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 173.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1860 ' ' THR . . . . . . . . . . . . . 29.4 m -68.71 -39.51 80.43 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.266 -0.879 . . . . 0.0 110.516 177.805 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1861 ' ' ALA . . . . . . . . . . . . . . . -62.68 -37.24 85.65 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.085 0.469 . . . . 0.0 110.607 177.218 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1862 ' ' LYS . . . . . 0.424 ' HD2' ' HA ' ' A' 1859 ' ' ARG . 53.8 mttm -66.18 -37.18 84.99 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.415 176.478 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1863 ' ' ALA . . . . . . . . . . . . . . . -63.4 -39.7 95.21 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.208 0.527 . . . . 0.0 110.4 175.767 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1864 ' ' ILE . . . . . 0.629 ' O ' HG13 ' A' 1868 ' ' VAL . 79.6 mt -63.56 -48.41 87.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.031 174.93 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1865 ' ' ALA . . . . . 0.746 ' HB2' HG23 ' A' 1961 ' ' VAL . . . -57.43 -41.68 80.93 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.92 -0.582 . . . . 0.0 112.376 -177.469 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1866 ' ' VAL . . . . . 0.44 ' O ' ' HG3' ' A' 1870 ' ' GLU . 13.5 p -72.46 -33.15 44.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 C-N-CA 120.644 -0.422 . . . . 0.0 110.361 179.231 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1867 ' ' THR . . . . . 0.654 ' O ' ' HG3' ' A' 1871 ' ' MET . 97.3 m -64.77 -51.44 62.25 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.694 -0.23 . . . . 0.0 110.805 178.224 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1868 ' ' VAL . . . . . 0.629 HG13 ' O ' ' A' 1864 ' ' ILE . 3.2 m -60.5 -29.57 44.81 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.286 0 CA-C-O 121.706 0.765 . . . . 0.0 110.079 -179.319 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1869 ' ' GLN . . . . . . . . . . . . . 7.4 tp-100 -77.34 -33.63 55.36 Favored 'General case' 0 N--CA 1.424 -1.762 0 CA-C-N 114.731 -1.122 . . . . 0.0 110.004 -178.396 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1870 ' ' GLU . . . . . 0.535 ' O ' ' HG2' ' A' 1874 ' ' LYS . 47.8 mt-10 -70.17 -38.72 75.47 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.115 172.682 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1871 ' ' MET . . . . . 0.654 ' HG3' ' O ' ' A' 1867 ' ' THR . 64.5 mtp -57.88 -43.04 85.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.059 -178.157 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1872 ' ' VAL . . . . . 0.455 ' CG1' ' HA ' ' A' 1951 ' ' ILE . 32.1 m -74.25 -28.85 23.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.801 0.334 . . . . 0.0 111.212 179.05 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1873 ' ' THR . . . . . . . . . . . . . 78.8 m -71.79 -48.71 44.7 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.433 178.202 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1874 ' ' LYS . . . . . 0.535 ' HG2' ' O ' ' A' 1870 ' ' GLU . 75.6 mmtt -66.41 -42.29 88.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.68 -175.827 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1875 ' ' SER . . . . . 0.608 ' HB3' HD11 ' A' 1882 ' ' LEU . 6.2 p -56.56 -14.24 3.0 Favored 'General case' 0 N--CA 1.468 0.461 0 N-CA-C 113.177 0.806 . . . . 0.0 113.177 -171.836 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1876 ' ' ASN . . . . . . . . . . . . . 52.3 m-80 -58.83 -46.33 87.94 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.78 0.324 . . . . 0.0 110.437 174.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1877 ' ' THR . . . . . . . . . . . . . 76.8 p -124.73 -23.89 4.25 Favored 'General case' 0 CA--C 1.534 0.355 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.959 -178.289 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1878 ' ' SER . . . . . 0.424 ' HB2' ' HB3' ' A' 1874 ' ' LYS . 70.5 m -109.27 98.92 33.86 Favored Pre-proline 0 C--N 1.325 -0.471 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.666 -174.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1879 ' ' PRO . . . . . 0.816 ' HA ' HD13 ' A' 1882 ' ' LEU . 33.1 Cg_endo -96.48 -18.88 0.25 Allowed 'Trans proline' 0 N--CA 1.442 -1.51 0 C-N-CA 121.985 1.79 . . . . 0.0 112.295 172.195 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1880 ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -80.14 -43.81 20.99 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 121.014 0.435 . . . . 0.0 109.98 178.659 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1881 ' ' GLU . . . . . . . . . . . . . 26.6 tt0 -59.38 -14.61 12.56 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.36 -0.836 . . . . 0.0 111.345 178.581 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1882 ' ' LEU . . . . . 0.816 HD13 ' HA ' ' A' 1879 ' ' PRO . 5.8 mt -70.78 -16.86 62.78 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.287 -0.87 . . . . 0.0 112.112 -179.276 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1883 ' ' GLY . . . . . . . . . . . . . . . -62.95 -60.59 7.44 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.68 -0.771 . . . . 0.0 111.983 176.745 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1884 ' ' PRO . . . . . . . . . . . . . 61.1 Cg_exo -51.92 -44.7 43.45 Favored 'Trans proline' 0 C--N 1.348 0.502 0 C-N-CA 122.594 2.196 . . . . 0.0 112.439 174.652 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1885 ' ' LEU . . . . . 0.502 HD11 ' HG3' ' A' 1874 ' ' LYS . 65.0 mt -60.75 -44.22 96.98 Favored 'General case' 0 C--N 1.332 -0.165 0 N-CA-C 111.893 0.331 . . . . 0.0 111.893 -177.648 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1886 ' ' ALA . . . . . . . . . . . . . . . -61.96 -46.69 88.2 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.086 0.47 . . . . 0.0 110.818 179.632 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1887 ' ' ASN . . . . . . . . . . . . . 43.3 m-80 -68.54 -27.09 65.78 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.682 178.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1888 ' ' GLN . . . . . . . . . . . . . 27.9 tp60 -68.64 -47.08 67.51 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.144 178.056 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1889 ' ' LEU . . . . . 0.497 HD23 ' SG ' ' A' 1927 ' ' CYS . 1.0 OUTLIER -58.29 -45.24 88.31 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.162 -0.681 . . . . 0.0 109.162 175.883 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A 1890 ' ' THR . . . . . . . . . . . . . 33.1 m -57.85 -43.65 86.02 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.229 -0.896 . . . . 0.0 111.249 179.703 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1891 ' ' SER . . . . . . . . . . . . . 29.1 t -62.41 -55.24 29.7 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.589 -178.102 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1892 ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -66.63 -35.27 79.77 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 111.85 0.315 . . . . 0.0 111.85 -175.328 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1893 ' ' TYR . . . . . . . . . . . . . 50.6 t80 -60.55 -37.51 81.49 Favored 'General case' 0 C--N 1.332 -0.19 0 C-N-CA 120.401 -0.519 . . . . 0.0 110.582 177.281 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1894 ' ' GLY . . . . . . . . . . . . . . . -57.85 -41.32 94.05 Favored Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 120.772 -0.728 . . . . 0.0 111.699 178.111 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1895 ' ' ARG . . . . . . . . . . . . . 77.8 ttt180 -66.37 -44.93 81.78 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.957 0.408 . . . . 0.0 110.399 177.032 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1896 ' ' LEU . . . . . 0.62 HD11 ' HB2' ' A' 1857 ' ' MET . 53.4 tp -56.84 -53.36 58.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.745 -0.661 . . . . 0.0 111.035 178.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1897 ' ' ALA . . . . . . . . . . . . . . . -64.57 -23.39 67.25 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.966 -179.515 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1898 ' ' SER . . . . . . . . . . . . . 47.0 t -76.85 -37.81 54.91 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.184 -178.129 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1899 ' ' GLN . . . . . . . . . . . . . 25.5 mm-40 -77.01 -21.27 54.9 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.88 0.371 . . . . 0.0 110.383 179.495 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1900 ' ' ALA . . . . . 0.427 ' HA ' ' HE3' ' A' 1857 ' ' MET . . . -64.28 -31.81 73.15 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.671 -0.695 . . . . 0.0 111.618 -179.157 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1901 ' ' LYS . . . . . 0.67 ' HB3' ' HD3' ' A' 1902 ' ' PRO . 2.0 tmtp? -71.29 -58.17 4.09 Favored Pre-proline 0 CA--C 1.54 0.572 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.261 -175.45 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1902 ' ' PRO . . . . . 0.67 ' HD3' ' HB3' ' A' 1901 ' ' LYS . 11.3 Cg_exo -71.39 -17.45 30.58 Favored 'Trans proline' 0 C--N 1.353 0.805 0 C-N-CA 122.087 1.858 . . . . 0.0 112.197 -177.42 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1903 ' ' ALA . . . . . . . . . . . . . . . -74.61 -35.02 62.94 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.979 0.419 . . . . 0.0 110.347 176.521 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1904 ' ' ALA . . . . . . . . . . . . . . . -73.15 -29.85 63.16 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.658 -177.366 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1905 ' ' VAL . . . . . 0.5 HG21 ' HA ' ' A' 1902 ' ' PRO . 32.6 m -89.93 -12.74 9.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.993 179.166 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1906 ' ' ALA . . . . . . . . . . . . . . . -82.72 -45.18 14.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.27 -0.423 . . . . 0.0 109.912 176.818 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1907 ' ' ALA . . . . . . . . . . . . . . . -67.77 131.29 45.27 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.635 178.427 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1908 ' ' GLU . . . . . 0.488 ' HG2' ' CB ' ' A' 1847 ' ' GLU . 10.1 pt-20 -91.55 -23.7 19.84 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.46 -178.786 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1909 ' ' ASN . . . . . 0.42 ' HB2' HD12 ' A' 1912 ' ' ILE . 95.0 m-20 -74.66 135.84 41.92 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.929 -0.397 . . . . 0.0 109.929 177.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1910 ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -56.33 -53.81 52.86 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.483 -0.78 . . . . 0.0 112.617 -170.632 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1911 ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 -72.73 -32.03 65.39 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 112.783 0.661 . . . . 0.0 112.783 -171.502 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1912 ' ' ILE . . . . . 0.532 ' O ' HG13 ' A' 1916 ' ' ILE . 48.6 mt -54.15 -53.99 24.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 C-N-CA 120.741 -0.384 . . . . 0.0 110.513 -179.535 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1913 ' ' GLY . . . . . . . . . . . . . . . -69.79 -27.17 73.54 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.433 -179.283 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1914 ' ' ALA . . . . . . . . . . . . . . . -73.31 -47.52 41.99 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.56 0.219 . . . . 0.0 110.738 -179.038 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1915 ' ' HIS . . . . . 0.447 ' O ' ' HG2' ' A' 1919 ' ' ARG . 71.4 m-70 -59.11 -41.96 89.39 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.122 -177.668 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1916 ' ' ILE . . . . . 0.532 HG13 ' O ' ' A' 1912 ' ' ILE . 81.4 mt -53.93 -59.25 2.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.398 -178.683 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1917 ' ' LYS . . . . . 0.492 ' HB2' ' HZ1' ' A' 1917 ' ' LYS . 8.8 mtmp? -67.88 -27.98 67.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.139 -177.179 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1918 ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -67.18 -39.79 86.46 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.084 177.337 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1919 ' ' ARG . . . . . 0.504 ' HD2' ' HB3' ' A' 1963 ' ' HIS . 29.9 mmt180 -81.53 -34.25 31.31 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 112.095 0.406 . . . . 0.0 112.095 -175.281 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1920 ' ' VAL . . . . . 0.468 HG22 ' HA ' ' A' 1917 ' ' LYS . 33.2 m -68.61 -24.35 29.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 C-N-CA 120.385 -0.526 . . . . 0.0 110.111 176.829 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1921 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.59 -41.0 98.38 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 115.971 -0.558 . . . . 0.0 109.536 175.059 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1922 ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -61.83 -46.36 89.83 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.392 177.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1923 ' ' LEU . . . . . 0.415 HD11 ' HA ' ' A' 1961 ' ' VAL . 19.9 mt -67.72 -23.31 65.25 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.109 178.765 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1924 ' ' GLY . . . . . . . . . . . . . . . -60.48 -51.89 55.96 Favored Glycine 0 N--CA 1.449 -0.45 0 C-N-CA 120.737 -0.744 . . . . 0.0 111.581 175.045 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1925 ' ' HIS . . . . . . . . . . . . . 31.5 m80 -72.63 -28.08 62.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.751 0.31 . . . . 0.0 110.736 178.062 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1926 ' ' GLY . . . . . . . . . . . . . . . -70.68 -46.12 48.71 Favored Glycine 0 N--CA 1.449 -0.456 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.27 178.754 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1927 ' ' CYS . . . . . 0.497 ' SG ' HD23 ' A' 1889 ' ' LEU . 43.7 t -62.1 -50.21 72.85 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.602 0.239 . . . . 0.0 110.421 178.853 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1928 ' ' SER . . . . . 0.406 ' HA ' HG22 ' A' 1931 ' ' VAL . 10.8 p -61.19 -38.61 87.15 Favored 'General case' 0 N--CA 1.452 -0.338 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.081 -178.529 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1929 ' ' ALA . . . . . . . . . . . . . . . -61.59 -49.93 74.64 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.786 0.327 . . . . 0.0 110.623 176.745 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1930 ' ' LEU . . . . . 0.446 HD22 ' HA ' ' A' 1930 ' ' LEU . 10.8 mt -62.53 -49.5 75.08 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.976 -178.74 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1931 ' ' VAL . . . . . 0.406 HG22 ' HA ' ' A' 1928 ' ' SER . 22.8 m -64.76 -31.89 55.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 C-N-CA 120.911 -0.316 . . . . 0.0 111.273 -175.621 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1932 ' ' THR . . . . . . . . . . . . . 63.8 m -71.53 -44.99 63.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.495 -0.321 . . . . 0.0 110.471 177.842 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1933 ' ' LYS . . . . . 0.416 ' HD3' ' HA ' ' A' 1933 ' ' LYS . 70.9 mmtt -71.13 -35.37 71.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.212 -179.774 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1934 ' ' ALA . . . . . . . . . . . . . . . -62.83 -47.85 81.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.858 0.361 . . . . 0.0 110.255 176.338 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1935 ' ' GLY . . . . . . . . . . . . . . . -64.4 -37.61 94.7 Favored Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 120.79 -0.719 . . . . 0.0 111.795 177.071 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1936 ' ' ALA . . . . . . . . . . . . . . . -65.49 -43.76 89.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.646 0.26 . . . . 0.0 110.991 178.312 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1937 ' ' LEU . . . . . . . . . . . . . 46.8 tp -67.52 -34.67 77.57 Favored 'General case' 0 CA--C 1.513 -0.466 0 CA-C-O 120.882 0.372 . . . . 0.0 110.37 178.73 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1938 ' ' GLN . . . . . . . . . . . . . 32.2 tt0 -62.05 -31.4 71.81 Favored 'General case' 0 N--CA 1.446 -0.643 0 CA-C-O 121.127 0.489 . . . . 0.0 110.231 179.219 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1939 ' ' CYS . . . . . . . . . . . . . 55.7 m -85.91 -16.98 36.78 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.016 179.378 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1940 ' ' SER . . . . . . . . . . . . . 60.1 m -150.92 78.97 7.17 Favored Pre-proline 0 C--N 1.326 -0.447 0 CA-C-O 120.918 0.39 . . . . 0.0 111.352 -177.845 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1941 ' ' PRO . . . . . . . . . . . . . 11.6 Cg_exo -74.09 -10.65 22.92 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 123.225 2.617 . . . . 0.0 112.033 -179.413 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1942 ' ' SER . . . . . . . . . . . . . 40.9 t -74.82 -23.76 58.52 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.09 178.139 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1943 ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -79.89 110.59 15.4 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.814 -178.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1944 ' ' VAL . . . . . 0.634 ' O ' ' HG3' ' A' 1948 ' ' LYS . 10.4 p -72.62 -32.21 40.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 N-CA-C 109.072 -0.714 . . . . 0.0 109.072 176.644 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1945 ' ' TYR . . . . . 0.49 ' O ' ' HG3' ' A' 1949 ' ' GLU . 49.5 m-85 -58.81 -51.29 70.62 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.307 -0.861 . . . . 0.0 110.101 179.741 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1946 ' ' THR . . . . . . . . . . . . . 78.2 m -60.86 -42.15 97.3 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.352 -0.84 . . . . 0.0 111.089 178.595 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1947 ' ' LYS . . . . . . . . . . . . . 36.3 ttpt -63.08 -51.49 66.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.967 -178.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1948 ' ' LYS . . . . . 0.763 ' HZ1' ' HB3' ' A' 1948 ' ' LYS . 7.4 mtpm? -61.49 -35.92 79.02 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.992 -174.416 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1949 ' ' GLU . . . . . 0.49 ' HG3' ' O ' ' A' 1945 ' ' TYR . 41.5 mt-10 -58.19 -30.03 66.12 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.014 0.435 . . . . 0.0 110.663 178.094 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1950 ' ' LEU . . . . . . . . . . . . . 8.2 tt -70.18 -47.64 60.65 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.974 -0.557 . . . . 0.0 109.512 177.184 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1951 ' ' ILE . . . . . 0.455 ' HA ' ' CG1' ' A' 1872 ' ' VAL . 3.1 mp -61.0 -50.19 81.63 Favored 'Isoleucine or valine' 0 C--O 1.235 0.327 0 CA-C-O 121.073 0.463 . . . . 0.0 110.418 177.525 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1952 ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -65.08 -23.6 67.21 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.415 -0.811 . . . . 0.0 111.557 -175.855 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1953 ' ' CYS . . . . . . . . . . . . . 47.4 t -86.97 -43.95 11.98 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.557 0.217 . . . . 0.0 111.199 179.669 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1954 ' ' ALA . . . . . 0.439 ' HA ' HG23 ' A' 1957 ' ' VAL . . . -63.11 -40.1 96.64 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 112.266 0.469 . . . . 0.0 112.266 -174.485 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1955 ' ' ARG . . . . . . . . . . . . . 6.9 ppt_? -65.89 -22.98 66.55 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 120.709 -0.396 . . . . 0.0 110.967 178.536 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1956 ' ' ARG . . . . . . . . . . . . . 78.9 mtp180 -81.07 -44.42 18.03 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.22 176.684 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1957 ' ' VAL . . . . . 0.545 ' O ' HG13 ' A' 1961 ' ' VAL . 14.1 m -67.48 -22.61 28.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 C-N-CA 120.994 -0.282 . . . . 0.0 111.168 -177.152 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1958 ' ' SER . . . . . 0.633 ' O ' HG22 ' A' 1961 ' ' VAL . 30.3 t -61.88 -23.99 66.65 Favored 'General case' 0 CA--C 1.534 0.34 0 CA-C-O 121.057 0.456 . . . . 0.0 110.065 175.896 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1959 ' ' GLU . . . . . . . . . . . . . 35.0 mm-40 -80.57 -35.48 34.22 Favored 'General case' 0 C--N 1.327 -0.406 0 O-C-N 122.014 -0.429 . . . . 0.0 110.839 173.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1960 ' ' LYS . . . . . . . . . . . . . 93.4 mttt -64.72 -34.17 77.69 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.307 179.846 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1961 ' ' VAL . . . . . 0.746 HG23 ' HB2' ' A' 1865 ' ' ALA . 3.8 m -69.03 -32.85 55.99 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-O 121.076 0.465 . . . . 0.0 109.979 175.726 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1962 ' ' SER . . . . . 0.456 ' HA ' HD11 ' A' 1965 ' ' LEU . 32.7 t -71.56 -26.32 62.58 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-N 115.739 -0.664 . . . . 0.0 109.585 178.433 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1963 ' ' HIS . . . . . 0.504 ' HB3' ' HD2' ' A' 1919 ' ' ARG . 66.8 m170 -69.55 -34.51 74.31 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.711 -0.677 . . . . 0.0 109.992 177.611 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1964 ' ' VAL . . . . . 0.549 HG12 HD12 ' A' 1896 ' ' LEU . 96.3 t -63.37 -44.43 98.99 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.198 0 N-CA-C 109.444 -0.576 . . . . 0.0 109.444 172.827 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1965 ' ' LEU . . . . . 0.488 ' HG ' ' O ' ' A' 1961 ' ' VAL . 61.0 mt -55.59 -47.7 76.06 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.467 -0.788 . . . . 0.0 110.727 179.596 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1966 ' ' ALA . . . . . . . . . . . . . . . -68.55 -44.77 73.8 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.575 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1967 ' ' ALA . . . . . . . . . . . . . . . -57.74 -47.46 82.38 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.679 -178.214 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1968 ' ' LEU . . . . . 0.849 ' HB3' ' HG3' ' A' 1854 ' ' GLN . 4.4 mm? -72.08 -37.82 69.52 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.441 -177.831 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1969 ' ' GLN . . . . . . . . . . . . . 48.1 mt-30 -83.53 26.44 0.67 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.849 0.357 . . . . 0.0 111.166 -178.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1970 ' ' ALA . . . . . . . . . . . . . . . -65.87 -32.48 74.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.83 177.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1971 ' ' GLY . . . . . . . . . . . . . . . -81.09 59.99 4.72 Favored Glycine 0 N--CA 1.449 -0.469 0 C-N-CA 120.957 -0.64 . . . . 0.0 111.984 178.875 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1972 ' ' ASN . . . . . . . . . . . . . 28.3 t-20 -71.03 -27.89 63.99 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.102 0.477 . . . . 0.0 110.349 -179.807 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1973 ' ' ARG . . . . . . . . . . . . . 41.6 ttm180 . . . . . 0 C--O 1.25 1.117 0 CA-C-N 115.725 -0.671 . . . . 0.0 109.664 175.88 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A 1837 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.826 0 N-CA-C 112.061 -0.416 . . . . 0.0 112.061 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A 1838 ' ' ILE . . . . . . . . . . . . . 50.9 mm 60.74 94.06 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.465 0.289 0 CA-C-O 121.21 0.529 . . . . 0.0 111.058 -178.204 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1839 ' ' ASP . . . . . 0.405 ' C ' ' H ' ' A' 1841 ' ' PHE . 38.3 m-20 -104.88 154.0 38.95 Favored Pre-proline 0 C--N 1.322 -0.611 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.435 -178.867 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1840 ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' 1839 ' ' ASP . 6.4 Cg_exo -75.95 38.68 0.6 Allowed 'Trans proline' 0 CA--C 1.531 0.332 0 C-N-CA 123.266 2.644 . . . . 0.0 111.904 176.093 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1841 ' ' PHE . . . . . 0.547 ' HA ' ' HG3' ' A' 1846 ' ' PRO . 97.4 m-85 -134.12 154.06 51.44 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.736 -0.666 . . . . 0.0 109.396 179.004 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1842 ' ' THR . . . . . . . . . . . . . 34.9 p -136.91 -85.03 0.33 Allowed 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.744 0.307 . . . . 0.0 110.975 179.764 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1843 ' ' MET . . . . . . . . . . . . . 60.4 mtm -84.85 57.5 4.44 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.111 -0.699 . . . . 0.0 109.111 176.441 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1844 ' ' GLY . . . . . . . . . . . . . . . 73.99 -92.12 0.72 Allowed Glycine 0 N--CA 1.445 -0.737 0 N-CA-C 110.049 -1.22 . . . . 0.0 110.049 -169.401 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1845 ' ' ASP . . . . . 0.46 ' HA ' ' HD3' ' A' 1846 ' ' PRO . 0.4 OUTLIER -99.63 126.03 38.67 Favored Pre-proline 0 C--N 1.321 -0.652 0 CA-C-O 120.775 0.321 . . . . 0.0 110.257 174.414 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A 1846 ' ' PRO . . . . . 0.547 ' HG3' ' HA ' ' A' 1841 ' ' PHE . 7.9 Cg_exo -74.32 -155.31 0.05 OUTLIER 'Trans proline' 0 N--CA 1.461 -0.39 0 C-N-CA 122.976 2.45 . . . . 0.0 111.677 175.546 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1847 ' ' GLU . . . . . . . . . . . . . 2.0 pm0 -88.51 16.16 6.93 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.95 0.405 . . . . 0.0 110.598 -177.246 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1848 ' ' GLY . . . . . . . . . . . . . . . -75.64 48.95 2.33 Favored Glycine 0 CA--C 1.521 0.45 0 CA-C-N 115.735 -0.666 . . . . 0.0 113.732 -174.47 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1849 ' ' SER . . . . . . . . . . . . . 8.5 t -140.18 -50.33 0.47 Allowed 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 109.148 -0.686 . . . . 0.0 109.148 174.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1850 ' ' PHE . . . . . . . . . . . . . 75.3 t80 -59.53 -30.62 68.72 Favored 'General case' 0 C--O 1.232 0.149 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.444 174.64 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1851 ' ' VAL . . . . . . . . . . . . . 26.8 m -59.46 -23.97 26.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.931 -179.154 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1852 ' ' ASP . . . . . . . . . . . . . 33.9 t70 -71.97 -49.77 34.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.768 0.318 . . . . 0.0 110.157 179.224 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1853 ' ' TYR . . . . . 0.613 ' O ' ' HG2' ' A' 1857 ' ' MET . 39.8 m-85 -61.39 -42.81 99.32 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 109.198 -0.667 . . . . 0.0 109.198 176.178 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1854 ' ' GLN . . . . . 0.786 ' HG3' ' HB3' ' A' 1968 ' ' LEU . 27.4 tt0 -48.84 -60.05 3.07 Favored 'General case' 0 CA--C 1.521 -0.146 0 CA-C-N 115.239 -0.892 . . . . 0.0 110.388 174.879 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1855 ' ' THR . . . . . 0.59 ' O ' ' HG2' ' A' 1859 ' ' ARG . 34.8 m -54.69 -37.77 66.19 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.281 -178.501 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1856 ' ' THR . . . . . 0.512 HG22 ' N ' ' A' 1857 ' ' MET . 1.0 OUTLIER -68.01 -57.77 5.6 Favored 'General case' 0 N--CA 1.445 -0.681 0 N-CA-C 112.239 0.459 . . . . 0.0 112.239 -177.576 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A 1857 ' ' MET . . . . . 0.613 ' HG2' ' O ' ' A' 1853 ' ' TYR . 9.6 ptm -78.88 -18.18 54.36 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 111.966 0.358 . . . . 0.0 111.966 -170.648 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1858 ' ' VAL . . . . . . . . . . . . . 33.6 m -71.73 -33.82 49.87 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.174 0 C-N-CA 119.628 -0.829 . . . . 0.0 109.504 171.257 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1859 ' ' ARG . . . . . 0.59 ' HG2' ' O ' ' A' 1855 ' ' THR . 9.7 mmm180 -65.77 -39.65 91.25 Favored 'General case' 0 CA--C 1.52 -0.189 0 N-CA-C 109.396 -0.594 . . . . 0.0 109.396 173.663 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1860 ' ' THR . . . . . 0.409 HG23 ' HD3' ' A' 1895 ' ' ARG . 6.6 m -61.51 -46.14 91.24 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.503 176.552 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1861 ' ' ALA . . . . . . . . . . . . . . . -59.25 -45.19 91.86 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.842 178.019 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1862 ' ' LYS . . . . . . . . . . . . . 53.9 mttm -62.27 -39.09 91.76 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.527 177.374 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1863 ' ' ALA . . . . . . . . . . . . . . . -65.32 -44.54 87.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.531 178.725 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1864 ' ' ILE . . . . . . . . . . . . . 75.0 mt -61.29 -43.14 95.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 116.228 -0.442 . . . . 0.0 109.949 175.189 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1865 ' ' ALA . . . . . 0.737 ' HB1' HG22 ' A' 1961 ' ' VAL . . . -58.65 -50.07 75.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.655 179.494 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1866 ' ' VAL . . . . . 0.57 ' O ' ' HG3' ' A' 1870 ' ' GLU . 13.3 p -67.89 -32.54 56.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 C-N-CA 120.572 -0.451 . . . . 0.0 110.448 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1867 ' ' THR . . . . . 0.659 ' O ' ' HG3' ' A' 1871 ' ' MET . 91.9 m -65.51 -53.17 46.26 Favored 'General case' 0 N--CA 1.452 -0.328 0 C-N-CA 120.957 -0.297 . . . . 0.0 110.384 177.506 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1868 ' ' VAL . . . . . 0.542 ' HA ' ' SD ' ' A' 1871 ' ' MET . 30.5 m -63.07 -33.85 63.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.785 -177.475 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1869 ' ' GLN . . . . . 0.553 ' HG2' ' HA ' ' A' 1866 ' ' VAL . 2.4 pt20 -76.58 -24.75 53.51 Favored 'General case' 0 N--CA 1.451 -0.401 0 C-N-CA 120.752 -0.379 . . . . 0.0 110.303 179.713 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1870 ' ' GLU . . . . . 0.57 ' HG3' ' O ' ' A' 1866 ' ' VAL . 30.6 mt-10 -70.4 -38.2 74.62 Favored 'General case' 0 CA--C 1.516 -0.347 0 N-CA-C 109.713 -0.477 . . . . 0.0 109.713 172.042 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1871 ' ' MET . . . . . 0.659 ' HG3' ' O ' ' A' 1867 ' ' THR . 39.3 mtp -58.68 -39.76 81.61 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.841 -179.165 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1872 ' ' VAL . . . . . 1.059 ' HB ' HG13 ' A' 1951 ' ' ILE . 1.9 m -73.57 -29.19 26.38 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.301 0 CA-C-O 121.387 0.613 . . . . 0.0 110.642 179.621 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1873 ' ' THR . . . . . . . . . . . . . 54.2 m -80.21 -45.3 18.26 Favored 'General case' 0 C--N 1.315 -0.933 0 CA-C-N 115.194 -0.912 . . . . 0.0 111.097 -177.283 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1874 ' ' LYS . . . . . . . . . . . . . 72.3 mmtt -64.68 -40.75 95.93 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.961 -179.005 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1875 ' ' SER . . . . . 0.563 ' HB3' HD13 ' A' 1882 ' ' LEU . 5.5 p -58.64 -16.03 14.32 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 112.861 0.689 . . . . 0.0 112.861 -173.562 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1876 ' ' ASN . . . . . . . . . . . . . 90.7 m-20 -77.66 -16.07 58.76 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 111.488 0.181 . . . . 0.0 111.488 -179.735 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1877 ' ' THR . . . . . . . . . . . . . 13.6 p -141.91 -46.86 0.36 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.299 0.571 . . . . 0.0 111.381 -179.474 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1878 ' ' SER . . . . . . . . . . . . . 73.5 m -110.19 101.55 48.2 Favored Pre-proline 0 C--N 1.321 -0.643 0 CA-C-N 115.466 -0.788 . . . . 0.0 111.442 -176.038 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1879 ' ' PRO . . . . . 0.782 ' HA ' HD12 ' A' 1882 ' ' LEU . 43.3 Cg_endo -88.19 -12.49 4.01 Favored 'Trans proline' 0 N--CA 1.443 -1.473 0 C-N-CA 121.47 1.446 . . . . 0.0 111.37 173.879 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1880 ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -75.69 -39.03 58.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.171 179.224 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1881 ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -67.98 -12.68 61.22 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.299 0.571 . . . . 0.0 110.808 -178.777 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1882 ' ' LEU . . . . . 0.782 HD12 ' HA ' ' A' 1879 ' ' PRO . 0.5 OUTLIER -72.72 -15.84 61.67 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.366 -0.834 . . . . 0.0 112.056 -177.941 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A 1883 ' ' GLY . . . . . . . . . . . . . . . -66.3 -60.83 5.94 Favored Glycine 0 CA--C 1.519 0.29 0 C-N-CA 120.684 -0.77 . . . . 0.0 111.944 177.357 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1884 ' ' PRO . . . . . . . . . . . . . 47.1 Cg_exo -56.8 -36.03 98.4 Favored 'Trans proline' 0 C--N 1.349 0.578 0 C-N-CA 122.599 2.199 . . . . 0.0 112.315 175.718 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1885 ' ' LEU . . . . . . . . . . . . . 41.9 mt -64.03 -43.03 96.82 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.597 0.237 . . . . 0.0 111.43 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1886 ' ' ALA . . . . . . . . . . . . . . . -61.55 -45.27 94.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.939 0.4 . . . . 0.0 110.419 177.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1887 ' ' ASN . . . . . . . . . . . . . 34.1 t-20 -63.72 -38.28 90.54 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.985 -0.552 . . . . 0.0 109.814 177.464 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1888 ' ' GLN . . . . . . . . . . . . . 36.0 tp60 -61.31 -49.62 76.29 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.74 -179.721 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1889 ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -57.23 -47.3 81.67 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.399 0.619 . . . . 0.0 109.365 176.801 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1890 ' ' THR . . . . . . . . . . . . . 55.1 m -58.42 -43.94 88.88 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.054 -0.975 . . . . 0.0 111.541 -178.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1891 ' ' SER . . . . . . . . . . . . . 9.1 t -69.79 -40.41 76.03 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.357 -175.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1892 ' ' ASP . . . . . 0.452 ' O ' ' HB3' ' A' 1895 ' ' ARG . 0.5 OUTLIER -79.98 -24.84 40.64 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 112.404 0.52 . . . . 0.0 112.404 -176.699 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A 1893 ' ' TYR . . . . . . . . . . . . . 30.2 t80 -61.2 -44.3 97.51 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 119.938 -0.705 . . . . 0.0 110.224 174.561 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1894 ' ' GLY . . . . . . . . . . . . . . . -59.29 -37.88 92.51 Favored Glycine 0 C--N 1.332 0.353 0 C-N-CA 120.677 -0.773 . . . . 0.0 111.474 177.261 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1895 ' ' ARG . . . . . 0.452 ' HB3' ' O ' ' A' 1892 ' ' ASP . 62.6 ttt180 -58.9 -52.92 63.66 Favored 'General case' 0 C--N 1.325 -0.494 0 C-N-CA 122.886 0.475 . . . . 0.0 110.438 174.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1896 ' ' LEU . . . . . 0.473 HD22 HG21 ' A' 1964 ' ' VAL . 62.1 tp -61.1 -47.54 85.82 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.646 -0.706 . . . . 0.0 111.384 -179.465 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1897 ' ' ALA . . . . . . . . . . . . . . . -64.38 -24.61 67.7 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.872 -176.741 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1898 ' ' SER . . . . . . . . . . . . . 71.2 m -81.93 -27.64 33.21 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.753 0.311 . . . . 0.0 110.655 -177.877 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1899 ' ' GLN . . . . . . . . . . . . . 82.2 mm-40 -79.72 -14.21 58.9 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.329 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1900 ' ' ALA . . . . . . . . . . . . . . . -68.23 -27.09 66.06 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.668 -0.697 . . . . 0.0 111.089 179.59 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1901 ' ' LYS . . . . . 0.464 ' HB3' ' HD3' ' A' 1902 ' ' PRO . 78.6 tttt -74.31 -58.58 1.87 Allowed Pre-proline 0 CA--C 1.538 0.516 0 C-N-CA 120.918 -0.313 . . . . 0.0 111.762 -177.697 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1902 ' ' PRO . . . . . 0.464 ' HD3' ' HB3' ' A' 1901 ' ' LYS . 37.9 Cg_endo -66.65 -22.6 50.33 Favored 'Trans proline' 0 C--N 1.357 1.019 0 C-N-CA 121.993 1.795 . . . . 0.0 112.27 -178.2 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1903 ' ' ALA . . . . . . . . . . . . . . . -75.15 -36.61 61.55 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.707 177.698 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1904 ' ' ALA . . . . . . . . . . . . . . . -69.06 -35.05 76.12 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.071 0.462 . . . . 0.0 110.578 -176.007 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1905 ' ' VAL . . . . . . . . . . . . . 31.0 m -85.14 -22.98 7.36 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-N 115.715 -0.675 . . . . 0.0 111.511 -178.495 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1906 ' ' ALA . . . . . . . . . . . . . . . -92.54 -4.96 52.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.88 0.371 . . . . 0.0 111.106 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1907 ' ' ALA . . . . . 0.426 ' HB2' ' HB ' ' A' 1912 ' ' ILE . . . -67.71 144.58 55.39 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.692 178.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1908 ' ' GLU . . . . . . . . . . . . . 16.7 mp0 -77.74 -24.38 49.07 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.575 -178.623 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1909 ' ' ASN . . . . . . . . . . . . . 63.6 m-20 -129.32 157.27 42.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.934 -0.575 . . . . 0.0 111.046 -178.278 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1910 ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -56.36 -54.13 49.13 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.715 -0.675 . . . . 0.0 111.356 178.613 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1911 ' ' GLU . . . . . . . . . . . . . 30.5 mt-10 -60.28 -39.24 86.2 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.718 -0.674 . . . . 0.0 111.843 -172.683 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1912 ' ' ILE . . . . . 0.505 ' O ' HG13 ' A' 1916 ' ' ILE . 63.4 mt -54.53 -53.2 33.21 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 O-C-N 123.267 0.354 . . . . 0.0 110.282 -179.071 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1913 ' ' GLY . . . . . . . . . . . . . . . -74.01 -31.49 59.79 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.812 -0.709 . . . . 0.0 112.432 -179.34 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1914 ' ' ALA . . . . . 0.429 ' O ' ' HD2' ' A' 1918 ' ' HIS . . . -68.81 -49.25 60.12 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.762 0.315 . . . . 0.0 110.382 -178.898 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1915 ' ' HIS . . . . . 0.649 ' O ' ' HG2' ' A' 1919 ' ' ARG . 66.2 m-70 -55.17 -42.78 73.59 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.574 -179.051 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1916 ' ' ILE . . . . . 0.505 HG13 ' O ' ' A' 1912 ' ' ILE . 96.1 mt -52.25 -53.11 20.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 115.729 -0.669 . . . . 0.0 111.109 178.061 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1917 ' ' LYS . . . . . . . . . . . . . 52.2 mtmt -67.72 -28.3 67.54 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.785 -0.643 . . . . 0.0 111.715 -175.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1918 ' ' HIS . . . . . 0.429 ' HD2' ' O ' ' A' 1914 ' ' ALA . 87.2 m-70 -74.08 -36.86 64.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.911 0.386 . . . . 0.0 110.518 176.841 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1919 ' ' ARG . . . . . 0.649 ' HG2' ' O ' ' A' 1915 ' ' HIS . 25.1 mmt180 -73.06 -40.79 64.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.688 -176.037 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1920 ' ' VAL . . . . . . . . . . . . . 27.6 m -68.06 -24.23 29.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 121.204 0.526 . . . . 0.0 110.21 177.23 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1921 ' ' GLN . . . . . . . . . . . . . 48.5 tp60 -70.24 -33.72 71.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.787 -0.642 . . . . 0.0 109.968 177.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1922 ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -62.22 -46.01 90.8 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 121.203 0.525 . . . . 0.0 110.237 176.098 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1923 ' ' LEU . . . . . 0.555 ' HG ' ' HB3' ' A' 1960 ' ' LYS . 25.2 mt -65.93 -23.23 66.58 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.54 -0.755 . . . . 0.0 111.905 -177.903 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1924 ' ' GLY . . . . . . . . . . . . . . . -53.97 -52.91 39.99 Favored Glycine 0 C--O 1.23 -0.15 0 C-N-CA 120.89 -0.672 . . . . 0.0 112.673 -179.284 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1925 ' ' HIS . . . . . . . . . . . . . 31.1 m80 -79.41 -21.09 46.08 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.816 0.341 . . . . 0.0 110.891 -178.693 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1926 ' ' GLY . . . . . . . . . . . . . . . -76.62 -44.11 16.86 Favored Glycine 0 N--CA 1.449 -0.444 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.513 -178.474 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1927 ' ' CYS . . . . . . . . . . . . . 60.2 m -65.48 -43.74 89.29 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.644 0.259 . . . . 0.0 110.611 -179.268 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1928 ' ' SER . . . . . . . . . . . . . 21.0 p -62.94 -39.39 94.47 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.13 -178.045 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1929 ' ' ALA . . . . . . . . . . . . . . . -67.93 -41.81 82.01 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.817 178.46 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1930 ' ' LEU . . . . . 0.512 ' HG ' ' HB3' ' A' 1953 ' ' CYS . 0.4 OUTLIER -66.0 -50.86 62.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.898 -177.389 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A 1931 ' ' VAL . . . . . . . . . . . . . 33.0 m -62.34 -27.97 43.71 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.17 0 CA-C-O 120.792 0.33 . . . . 0.0 111.136 -176.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1932 ' ' THR . . . . . . . . . . . . . 89.5 m -66.43 -46.59 75.98 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.376 175.424 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1933 ' ' LYS . . . . . 0.453 ' HZ2' ' CD ' ' A' 1949 ' ' GLU . 32.9 mmtp -72.04 -31.33 66.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.979 -178.555 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1934 ' ' ALA . . . . . . . . . . . . . . . -59.15 -50.2 74.96 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.97 0.414 . . . . 0.0 110.194 174.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1935 ' ' GLY . . . . . . . . . . . . . . . -67.82 -39.36 89.83 Favored Glycine 0 N--CA 1.448 -0.522 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.145 177.655 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1936 ' ' ALA . . . . . . . . . . . . . . . -61.07 -46.75 89.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.559 0.218 . . . . 0.0 111.186 179.569 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1937 ' ' LEU . . . . . 0.418 ' N ' HG23 ' A' 1946 ' ' THR . 25.2 tp -67.12 -35.13 79.08 Favored 'General case' 0 CA--C 1.511 -0.537 0 CA-C-O 120.918 0.389 . . . . 0.0 110.412 178.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1938 ' ' GLN . . . . . 0.434 ' HG3' ' O ' ' A' 1879 ' ' PRO . 35.4 tt0 -62.19 -31.53 72.06 Favored 'General case' 0 N--CA 1.444 -0.732 0 CA-C-O 121.285 0.564 . . . . 0.0 110.022 179.54 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1939 ' ' CYS . . . . . . . . . . . . . 56.2 m -86.35 -17.45 34.46 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.007 178.297 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1940 ' ' SER . . . . . . . . . . . . . 6.4 m -136.01 72.81 60.31 Favored Pre-proline 0 C--N 1.326 -0.415 0 CA-C-N 116.589 -0.278 . . . . 0.0 110.808 -177.165 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1941 ' ' PRO . . . . . . . . . . . . . 11.8 Cg_exo -72.32 -14.13 28.19 Favored 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.836 2.357 . . . . 0.0 112.425 -176.205 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1942 ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -90.4 -1.42 57.91 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.431 -179.706 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1943 ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -104.63 106.38 16.85 Favored 'General case' 0 CA--C 1.516 -0.347 0 CA-C-O 121.075 0.464 . . . . 0.0 111.349 179.759 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1944 ' ' VAL . . . . . 0.413 ' O ' ' HG2' ' A' 1948 ' ' LYS . 9.4 p -69.25 -25.21 28.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.028 177.553 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1945 ' ' TYR . . . . . . . . . . . . . 84.9 m-85 -55.21 -46.9 75.92 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.344 -0.844 . . . . 0.0 110.846 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1946 ' ' THR . . . . . 0.418 HG23 ' N ' ' A' 1937 ' ' LEU . 32.8 m -68.56 -38.37 80.7 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.693 179.56 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1947 ' ' LYS . . . . . . . . . . . . . 13.6 ttpp -63.14 -43.31 98.7 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.56 -178.481 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1948 ' ' LYS . . . . . 0.413 ' HG2' ' O ' ' A' 1944 ' ' VAL . 7.5 mmpt? -53.13 -51.66 61.22 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 121.11 0.481 . . . . 0.0 110.532 -179.843 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1949 ' ' GLU . . . . . 0.453 ' CD ' ' HZ2' ' A' 1933 ' ' LYS . 29.5 mt-10 -64.94 -28.96 69.88 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.289 -0.869 . . . . 0.0 111.537 -175.864 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1950 ' ' LEU . . . . . 0.475 HD11 HD21 ' A' 1882 ' ' LEU . 6.2 tt -64.45 -52.12 59.65 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.533 -0.543 . . . . 0.0 109.533 178.363 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1951 ' ' ILE . . . . . 1.059 HG13 ' HB ' ' A' 1872 ' ' VAL . 2.0 mp -62.81 -44.45 99.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 115.976 -0.556 . . . . 0.0 109.996 177.122 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1952 ' ' GLU . . . . . . . . . . . . . 24.2 mm-40 -56.2 -38.0 70.4 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.762 -0.654 . . . . 0.0 112.042 179.718 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1953 ' ' CYS . . . . . 0.512 ' HB3' ' HG ' ' A' 1930 ' ' LEU . 9.1 t -75.89 -38.92 57.33 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 120.646 0.26 . . . . 0.0 110.819 -177.626 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1954 ' ' ALA . . . . . 0.511 ' HA ' HG22 ' A' 1957 ' ' VAL . . . -66.5 -44.12 83.48 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 111.805 0.298 . . . . 0.0 111.805 -176.88 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1955 ' ' ARG . . . . . 0.45 ' HG2' ' O ' ' A' 1951 ' ' ILE . 3.7 ptp180 -62.82 -24.41 67.75 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.114 0.483 . . . . 0.0 110.733 178.616 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1956 ' ' ARG . . . . . . . . . . . . . 65.2 mtp180 -80.22 -48.46 13.07 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.877 176.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1957 ' ' VAL . . . . . 0.564 ' O ' HG11 ' A' 1961 ' ' VAL . 20.6 m -67.26 -29.05 44.56 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 C-N-CA 121.038 -0.265 . . . . 0.0 111.551 -176.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1958 ' ' SER . . . . . 0.705 ' O ' HG21 ' A' 1961 ' ' VAL . 20.4 t -64.84 -23.97 67.4 Favored 'General case' 0 CA--C 1.532 0.282 0 CA-C-O 121.039 0.447 . . . . 0.0 110.258 178.74 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1959 ' ' GLU . . . . . . . . . . . . . 78.5 mm-40 -71.26 -39.34 71.65 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 121.739 -0.6 . . . . 0.0 109.997 173.096 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1960 ' ' LYS . . . . . 0.555 ' HB3' ' HG ' ' A' 1923 ' ' LEU . 2.9 mptp? -66.78 -35.53 80.28 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.551 179.614 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1961 ' ' VAL . . . . . 0.737 HG22 ' HB1' ' A' 1865 ' ' ALA . 2.4 m -67.03 -32.79 59.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 N-CA-C 109.365 -0.605 . . . . 0.0 109.365 175.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1962 ' ' SER . . . . . 0.519 ' HA ' HD12 ' A' 1965 ' ' LEU . 42.8 m -71.87 -26.57 62.4 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-N 115.598 -0.728 . . . . 0.0 109.927 176.188 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1963 ' ' HIS . . . . . 0.544 ' HB3' ' HD2' ' A' 1919 ' ' ARG . 65.9 m170 -70.55 -32.5 69.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.006 176.268 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1964 ' ' VAL . . . . . 0.473 HG21 HD22 ' A' 1896 ' ' LEU . 95.5 t -65.21 -43.75 95.36 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.144 0 N-CA-C 108.946 -0.761 . . . . 0.0 108.946 173.521 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1965 ' ' LEU . . . . . 0.519 HD12 ' HA ' ' A' 1962 ' ' SER . 65.8 mt -59.45 -33.79 71.72 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.239 -0.892 . . . . 0.0 110.809 177.672 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1966 ' ' ALA . . . . . . . . . . . . . . . -76.81 -48.02 19.77 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.345 179.585 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1967 ' ' ALA . . . . . . . . . . . . . . . -60.99 -46.34 91.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.917 -177.15 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1968 ' ' LEU . . . . . 0.786 ' HB3' ' HG3' ' A' 1854 ' ' GLN . 4.2 mm? -67.43 -32.14 72.8 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.764 0.316 . . . . 0.0 111.535 -177.93 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1969 ' ' GLN . . . . . . . . . . . . . 48.6 mt-30 -96.26 20.67 10.03 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.989 0.424 . . . . 0.0 110.905 -178.227 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1970 ' ' ALA . . . . . . . . . . . . . . . -87.14 -0.45 56.7 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.71 178.228 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1971 ' ' GLY . . . . . 0.416 ' O ' ' HB2' ' A' 1972 ' ' ASN . . . -78.17 109.61 2.86 Favored Glycine 0 N--CA 1.446 -0.685 0 C-N-CA 120.899 -0.667 . . . . 0.0 111.979 179.222 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1972 ' ' ASN . . . . . 0.416 ' HB2' ' O ' ' A' 1971 ' ' GLY . 36.7 m-80 69.95 168.17 0.3 Allowed 'General case' 0 N--CA 1.465 0.31 0 C-N-CA 122.954 0.501 . . . . 0.0 111.097 -178.305 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1973 ' ' ARG . . . . . . . . . . . . . 18.6 ptp180 . . . . . 0 C--O 1.245 0.852 0 CA-C-O 118.634 -0.698 . . . . 0.0 110.009 178.775 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A 1837 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.778 0 N-CA-C 111.946 -0.462 . . . . 0.0 111.946 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A 1838 ' ' ILE . . . . . . . . . . . . . 9.3 tt -164.23 129.54 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-O 121.1 0.476 . . . . 0.0 110.838 178.032 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1839 ' ' ASP . . . . . . . . . . . . . 18.5 t70 -64.78 131.77 95.25 Favored Pre-proline 0 C--N 1.323 -0.553 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.263 178.708 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1840 ' ' PRO . . . . . . . . . . . . . 80.4 Cg_endo -80.18 -2.21 11.88 Favored 'Trans proline' 0 N--CA 1.463 -0.292 0 C-N-CA 122.772 2.314 . . . . 0.0 113.287 -171.854 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1841 ' ' PHE . . . . . . . . . . . . . 1.3 t80 -95.34 -6.06 42.01 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.017 0.437 . . . . 0.0 110.139 -179.024 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1842 ' ' THR . . . . . . . . . . . . . 67.5 p -84.19 -53.56 5.43 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.487 -176.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1843 ' ' MET . . . . . . . . . . . . . 66.3 mtt -105.42 151.74 23.85 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.067 0.46 . . . . 0.0 111.508 -176.545 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1844 ' ' GLY . . . . . . . . . . . . . . . 173.45 83.7 0.06 OUTLIER Glycine 0 N--CA 1.446 -0.634 0 CA-C-N 115.499 -0.773 . . . . 0.0 111.423 179.487 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1845 ' ' ASP . . . . . . . . . . . . . 21.0 m-20 -118.18 111.42 38.63 Favored Pre-proline 0 C--N 1.325 -0.482 0 CA-C-O 120.779 0.323 . . . . 0.0 110.666 -177.823 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1846 ' ' PRO . . . . . 0.49 ' HB2' ' HB3' ' A' 1908 ' ' GLU . 19.7 Cg_exo -67.5 -21.07 46.95 Favored 'Trans proline' 0 CA--C 1.529 0.232 0 C-N-CA 122.82 2.346 . . . . 0.0 111.846 177.352 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1847 ' ' GLU . . . . . 0.467 ' HB3' ' HG2' ' A' 1908 ' ' GLU . 12.7 pt-20 -96.33 11.33 35.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.081 0.467 . . . . 0.0 110.429 176.52 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1848 ' ' GLY . . . . . 0.467 ' C ' ' H ' ' A' 1850 ' ' PHE . . . -62.29 155.56 39.57 Favored Glycine 0 N--CA 1.449 -0.491 0 CA-C-N 115.825 -0.625 . . . . 0.0 112.335 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1849 ' ' SER . . . . . . . . . . . . . 83.4 p 66.46 -24.55 0.1 Allowed 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 124.897 1.279 . . . . 0.0 112.938 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1850 ' ' PHE . . . . . 0.467 ' H ' ' C ' ' A' 1848 ' ' GLY . 77.5 t80 -62.6 -25.11 67.92 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.145 0.498 . . . . 0.0 110.374 177.018 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1851 ' ' VAL . . . . . . . . . . . . . 13.4 m -57.0 -33.76 43.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 115.414 -0.812 . . . . 0.0 111.636 -178.438 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1852 ' ' ASP . . . . . . . . . . . . . 31.0 t70 -73.12 -48.89 31.79 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.708 -178.114 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1853 ' ' TYR . . . . . 0.412 ' CE1' ' HB2' ' A' 1902 ' ' PRO . 50.5 m-85 -63.8 -41.57 97.89 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.079 -179.79 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1854 ' ' GLN . . . . . 0.837 ' HG3' ' HB3' ' A' 1968 ' ' LEU . 32.5 tt0 -55.24 -57.57 11.24 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.322 176.348 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1855 ' ' THR . . . . . 0.606 ' O ' ' HG2' ' A' 1859 ' ' ARG . 46.1 m -58.63 -30.07 66.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.342 -178.81 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1856 ' ' THR . . . . . 0.465 HG23 ' N ' ' A' 1857 ' ' MET . 1.2 m -69.26 -58.61 3.82 Favored 'General case' 0 N--CA 1.442 -0.833 0 N-CA-C 112.201 0.445 . . . . 0.0 112.201 -178.78 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1857 ' ' MET . . . . . 0.698 ' HG3' HD21 ' A' 1968 ' ' LEU . 5.5 ptm -79.31 -17.04 55.37 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 112.115 0.413 . . . . 0.0 112.115 -169.04 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1858 ' ' VAL . . . . . 0.54 ' O ' ' HG3' ' A' 1862 ' ' LYS . 35.6 m -66.22 -33.63 64.8 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.164 0 C-N-CA 119.991 -0.684 . . . . 0.0 109.915 172.377 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1859 ' ' ARG . . . . . 0.606 ' HG2' ' O ' ' A' 1855 ' ' THR . 17.3 mmt180 -68.98 -42.02 77.11 Favored 'General case' 0 CA--C 1.518 -0.286 0 N-CA-C 109.087 -0.709 . . . . 0.0 109.087 178.343 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1860 ' ' THR . . . . . 0.445 HG21 ' HB2' ' A' 1896 ' ' LEU . 28.4 m -59.61 -44.4 93.43 Favored 'General case' 0 N--CA 1.448 -0.549 0 CA-C-N 115.078 -0.964 . . . . 0.0 110.993 177.516 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1861 ' ' ALA . . . . . 0.419 ' HB1' ' HB ' ' A' 1961 ' ' VAL . . . -57.74 -41.79 82.58 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.618 177.383 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1862 ' ' LYS . . . . . 0.54 ' HG3' ' O ' ' A' 1858 ' ' VAL . 56.9 mttm -65.51 -43.41 90.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.593 178.545 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1863 ' ' ALA . . . . . . . . . . . . . . . -64.58 -36.48 84.37 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.891 179.057 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1864 ' ' ILE . . . . . 0.614 ' O ' HG13 ' A' 1868 ' ' VAL . 69.1 mt -66.81 -48.47 79.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 116.512 -0.313 . . . . 0.0 110.323 175.877 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1865 ' ' ALA . . . . . 0.709 ' HB2' HG21 ' A' 1961 ' ' VAL . . . -57.75 -43.94 85.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.205 -0.452 . . . . 0.0 112.162 -177.185 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1866 ' ' VAL . . . . . 0.496 ' O ' ' HG3' ' A' 1870 ' ' GLU . 12.7 p -66.96 -33.96 66.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 C-N-CA 120.84 -0.344 . . . . 0.0 110.524 179.537 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1867 ' ' THR . . . . . 0.646 ' O ' ' HG3' ' A' 1871 ' ' MET . 85.5 m -67.8 -52.43 37.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.372 -0.377 . . . . 0.0 110.9 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1868 ' ' VAL . . . . . 0.614 HG13 ' O ' ' A' 1864 ' ' ILE . 3.2 m -61.05 -29.67 46.16 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.245 0 CA-C-O 121.566 0.698 . . . . 0.0 110.445 -178.194 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1869 ' ' GLN . . . . . . . . . . . . . 7.6 tp-100 -74.98 -29.89 61.03 Favored 'General case' 0 N--CA 1.425 -1.698 0 CA-C-N 114.787 -1.097 . . . . 0.0 110.191 -178.845 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1870 ' ' GLU . . . . . 0.496 ' HG3' ' O ' ' A' 1866 ' ' VAL . 48.6 mt-10 -74.35 -42.45 59.36 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.195 -0.457 . . . . 0.0 109.903 172.468 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1871 ' ' MET . . . . . 0.646 ' HG3' ' O ' ' A' 1867 ' ' THR . 59.0 mtp -55.46 -42.71 74.67 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.934 -0.575 . . . . 0.0 111.178 -177.056 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1872 ' ' VAL . . . . . 0.446 HG13 ' HA ' ' A' 1951 ' ' ILE . 28.3 m -74.23 -28.49 23.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-O 120.764 0.316 . . . . 0.0 111.756 178.512 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1873 ' ' THR . . . . . . . . . . . . . 94.6 m -74.07 -42.89 59.48 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.05 0.452 . . . . 0.0 110.638 178.286 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1874 ' ' LYS . . . . . 0.481 ' HG2' ' O ' ' A' 1870 ' ' GLU . 74.3 mmtt -66.14 -50.39 64.12 Favored 'General case' 0 C--O 1.221 -0.422 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.137 -178.578 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1875 ' ' SER . . . . . 0.514 ' HB2' ' HG3' ' A' 1947 ' ' LYS . 4.1 p -53.99 -20.53 6.42 Favored 'General case' 0 N--CA 1.468 0.431 0 N-CA-C 113.444 0.905 . . . . 0.0 113.444 -170.646 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1876 ' ' ASN . . . . . . . . . . . . . 86.1 m-20 -63.27 -31.9 73.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.803 0.335 . . . . 0.0 111.287 178.325 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1877 ' ' THR . . . . . . . . . . . . . 35.2 p -137.05 -37.95 0.64 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.128 0.489 . . . . 0.0 111.877 -176.426 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1878 ' ' SER . . . . . . . . . . . . . 51.4 m -109.13 99.59 36.57 Favored Pre-proline 0 C--N 1.322 -0.611 0 CA-C-N 115.608 -0.724 . . . . 0.0 111.089 -177.114 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1879 ' ' PRO . . . . . 0.712 ' HA ' HD12 ' A' 1882 ' ' LEU . 50.3 Cg_endo -89.16 -12.47 3.29 Favored 'Trans proline' 0 N--CA 1.443 -1.465 0 C-N-CA 121.776 1.651 . . . . 0.0 112.666 178.429 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1880 ' ' GLU . . . . . 0.509 ' HA ' ' HG2' ' A' 1938 ' ' GLN . 41.9 mt-10 -95.28 -23.24 17.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.665 0.269 . . . . 0.0 111.338 -177.009 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1881 ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -67.42 -13.11 61.73 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-O 121.091 0.472 . . . . 0.0 110.716 174.727 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1882 ' ' LEU . . . . . 0.712 HD12 ' HA ' ' A' 1879 ' ' PRO . 1.7 mt -76.93 -16.39 59.38 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.695 -0.684 . . . . 0.0 112.244 -178.184 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1883 ' ' GLY . . . . . . . . . . . . . . . -56.59 -61.31 7.63 Favored Glycine 0 CA--C 1.52 0.369 0 C-N-CA 120.833 -0.698 . . . . 0.0 112.526 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1884 ' ' PRO . . . . . . . . . . . . . 18.9 Cg_endo -60.9 -31.41 91.53 Favored 'Trans proline' 0 C--N 1.344 0.327 0 C-N-CA 122.541 2.161 . . . . 0.0 112.497 176.777 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1885 ' ' LEU . . . . . 0.406 ' HB3' ' HG2' ' A' 1871 ' ' MET . 86.0 mt -66.66 -41.25 88.46 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.615 -0.266 . . . . 0.0 111.217 -178.354 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1886 ' ' ALA . . . . . . . . . . . . . . . -62.8 -45.74 91.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.111 0.482 . . . . 0.0 110.617 178.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1887 ' ' ASN . . . . . . . . . . . . . 44.3 t30 -66.71 -35.06 79.25 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.846 -0.616 . . . . 0.0 110.474 178.265 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1888 ' ' GLN . . . . . . . . . . . . . 19.2 tp60 -64.54 -49.52 70.91 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.56 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1889 ' ' LEU . . . . . 0.505 HD12 ' SD ' ' A' 1871 ' ' MET . 1.3 tt -57.79 -46.82 84.09 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 109.453 -0.573 . . . . 0.0 109.453 177.48 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1890 ' ' THR . . . . . . . . . . . . . 85.8 m -57.57 -44.6 85.41 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.279 -0.873 . . . . 0.0 111.492 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1891 ' ' SER . . . . . . . . . . . . . 53.7 m -61.92 -50.28 72.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.496 -178.169 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1892 ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -64.78 -42.38 95.14 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.595 -0.275 . . . . 0.0 111.417 -178.605 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1893 ' ' TYR . . . . . . . . . . . . . 55.3 t80 -57.41 -34.72 69.2 Favored 'General case' 0 C--O 1.233 0.214 0 C-N-CA 120.674 -0.411 . . . . 0.0 110.884 179.179 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1894 ' ' GLY . . . . . . . . . . . . . . . -54.15 -42.36 72.14 Favored Glycine 0 N--CA 1.449 -0.444 0 C-N-CA 120.932 -0.651 . . . . 0.0 111.86 176.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1895 ' ' ARG . . . . . . . . . . . . . 8.0 mpt_? -68.34 -48.84 63.76 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.932 0.396 . . . . 0.0 110.124 178.065 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1896 ' ' LEU . . . . . 0.445 ' HB2' HG21 ' A' 1860 ' ' THR . 58.2 tp -54.3 -50.62 66.9 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.559 -0.746 . . . . 0.0 111.526 -178.728 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1897 ' ' ALA . . . . . . . . . . . . . . . -67.0 -25.73 66.45 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.561 -177.42 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1898 ' ' SER . . . . . . . . . . . . . 62.6 m -81.53 -45.04 16.49 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.811 0.339 . . . . 0.0 110.67 -176.14 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1899 ' ' GLN . . . . . 0.762 ' HA ' HE21 ' A' 1899 ' ' GLN . 0.0 OUTLIER -68.27 -13.03 61.95 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.924 -178.213 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A 1900 ' ' ALA . . . . . . . . . . . . . . . -67.62 -27.16 66.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.049 178.029 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1901 ' ' LYS . . . . . 0.705 ' HB3' ' HD3' ' A' 1902 ' ' PRO . 23.0 tptm -70.08 -57.12 6.44 Favored Pre-proline 0 CA--C 1.538 0.503 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.407 -178.827 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1902 ' ' PRO . . . . . 0.705 ' HD3' ' HB3' ' A' 1901 ' ' LYS . 14.6 Cg_exo -68.98 -25.06 32.59 Favored 'Trans proline' 0 C--N 1.357 1.019 0 C-N-CA 122.104 1.869 . . . . 0.0 112.046 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1903 ' ' ALA . . . . . . . . . . . . . . . -70.95 -31.61 68.24 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.429 -0.351 . . . . 0.0 110.824 178.204 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1904 ' ' ALA . . . . . . . . . . . . . . . -75.03 -37.7 61.67 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.932 0.396 . . . . 0.0 110.721 -177.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1905 ' ' VAL . . . . . . . . . . . . . 33.1 m -81.27 -13.31 12.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.618 -177.17 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1906 ' ' ALA . . . . . . . . . . . . . . . -104.43 3.4 32.16 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.876 0.369 . . . . 0.0 111.081 179.735 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1907 ' ' ALA . . . . . . . . . . . . . . . -89.22 119.52 29.79 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.884 -179.158 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1908 ' ' GLU . . . . . 0.49 ' HB3' ' HB2' ' A' 1846 ' ' PRO . 6.6 pt-20 -63.06 -29.62 70.96 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.515 179.434 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1909 ' ' ASN . . . . . 0.563 ' HB2' HG13 ' A' 1912 ' ' ILE . 0.9 OUTLIER -95.18 134.69 37.64 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.838 0.351 . . . . 0.0 110.709 -178.907 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A 1910 ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -53.65 -49.59 67.6 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.194 -0.912 . . . . 0.0 111.222 179.192 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1911 ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -73.05 -30.94 64.09 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.811 -0.631 . . . . 0.0 112.298 -173.774 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1912 ' ' ILE . . . . . 0.621 ' O ' HG13 ' A' 1916 ' ' ILE . 51.9 mt -55.18 -54.21 26.86 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.33 0 C-N-CA 120.568 -0.453 . . . . 0.0 110.335 -179.603 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1913 ' ' GLY . . . . . . . . . . . . . . . -64.75 -36.38 93.05 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.407 -178.558 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1914 ' ' ALA . . . . . . . . . . . . . . . -69.1 -41.15 77.84 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.622 0.249 . . . . 0.0 110.49 -178.644 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1915 ' ' HIS . . . . . 0.568 ' O ' ' HG2' ' A' 1919 ' ' ARG . 61.5 m-70 -63.83 -40.49 96.74 Favored 'General case' 0 CA--C 1.517 -0.299 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.836 -179.71 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1916 ' ' ILE . . . . . 0.621 HG13 ' O ' ' A' 1912 ' ' ILE . 76.5 mt -55.42 -57.0 8.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 121.183 0.516 . . . . 0.0 110.427 178.118 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1917 ' ' LYS . . . . . 0.446 ' HA ' HG22 ' A' 1920 ' ' VAL . 19.8 mtpp -64.0 -29.83 70.96 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.375 -0.83 . . . . 0.0 111.031 -179.106 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1918 ' ' HIS . . . . . . . . . . . . . 39.1 t-80 -68.44 -44.95 73.8 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.19 177.739 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1919 ' ' ARG . . . . . 0.568 ' HG2' ' O ' ' A' 1915 ' ' HIS . 29.3 mmt180 -74.0 -33.21 63.73 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.49 -175.536 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1920 ' ' VAL . . . . . 0.446 HG22 ' HA ' ' A' 1917 ' ' LYS . 33.2 m -72.6 -28.51 28.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 C-N-CA 120.535 -0.466 . . . . 0.0 110.7 177.617 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1921 ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -69.77 -40.24 76.21 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 108.27 -1.011 . . . . 0.0 108.27 172.412 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1922 ' ' GLU . . . . . 0.553 ' HG2' ' HD3' ' A' 1960 ' ' LYS . 35.7 tt0 -66.87 -49.05 66.9 Favored 'General case' 0 N--CA 1.444 -0.742 0 CA-C-N 114.045 -1.434 . . . . 0.0 109.199 -175.325 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1923 ' ' LEU . . . . . 0.46 ' HG ' ' HB2' ' A' 1960 ' ' LYS . 1.1 tt -68.65 -37.8 79.94 Favored 'General case' 0 N--CA 1.444 -0.733 0 CA-C-N 114.554 -1.203 . . . . 0.0 109.559 177.313 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1924 ' ' GLY . . . . . . . . . . . . . . . -55.57 -55.28 29.48 Favored Glycine 0 N--CA 1.452 -0.261 0 CA-C-N 115.809 -0.632 . . . . 0.0 113.706 -177.219 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1925 ' ' HIS . . . . . . . . . . . . . 6.0 p-80 -70.13 -20.17 63.18 Favored 'General case' 0 C--N 1.324 -0.51 0 C-N-CA 120.383 -0.527 . . . . 0.0 110.547 -179.437 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1926 ' ' GLY . . . . . . . . . . . . . . . -77.35 -48.49 8.12 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.897 -0.668 . . . . 0.0 112.288 176.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1927 ' ' CYS . . . . . . . . . . . . . 28.6 p -70.49 -35.87 73.49 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.719 0.295 . . . . 0.0 110.637 -178.827 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1928 ' ' SER . . . . . . . . . . . . . 24.7 t -62.9 -39.09 93.43 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.114 177.229 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1929 ' ' ALA . . . . . . . . . . . . . . . -69.1 -36.97 78.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.133 0.492 . . . . 0.0 110.159 176.169 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1930 ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -62.51 -53.16 58.81 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.492 -0.776 . . . . 0.0 110.28 179.306 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1931 ' ' VAL . . . . . . . . . . . . . 34.7 m -63.94 -29.5 47.46 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.163 0 N-CA-C 111.728 0.27 . . . . 0.0 111.728 -175.831 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1932 ' ' THR . . . . . . . . . . . . . 73.4 m -62.88 -45.43 92.57 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.076 0.465 . . . . 0.0 110.076 174.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1933 ' ' LYS . . . . . . . . . . . . . 32.2 mmtp -75.5 -34.67 60.85 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.537 -179.714 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1934 ' ' ALA . . . . . . . . . . . . . . . -60.41 -46.22 90.79 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.449 -0.342 . . . . 0.0 110.439 176.208 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1935 ' ' GLY . . . . . . . . . . . . . . . -67.92 -36.8 87.2 Favored Glycine 0 N--CA 1.448 -0.509 0 C-N-CA 120.793 -0.718 . . . . 0.0 111.978 177.143 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1936 ' ' ALA . . . . . . . . . . . . . . . -64.32 -47.24 80.17 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.671 0.272 . . . . 0.0 111.239 178.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1937 ' ' LEU . . . . . 0.466 HD23 ' HA ' ' A' 1947 ' ' LYS . 55.5 tp -69.08 -27.91 66.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.274 0.559 . . . . 0.0 110.267 179.28 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1938 ' ' GLN . . . . . 0.517 ' HA ' ' O ' ' A' 1879 ' ' PRO . 0.3 OUTLIER -69.92 -34.42 73.45 Favored 'General case' 0 N--CA 1.445 -0.708 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.098 179.803 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A 1939 ' ' CYS . . . . . . . . . . . . . 55.8 m -86.11 -34.75 20.54 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.872 -0.603 . . . . 0.0 110.482 177.545 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1940 ' ' SER . . . . . . . . . . . . . 51.1 m -119.55 85.05 31.39 Favored Pre-proline 0 C--N 1.325 -0.484 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.295 -179.713 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1941 ' ' PRO . . . . . 0.583 ' HB3' ' HG3' ' A' 1879 ' ' PRO . 12.8 Cg_exo -72.71 -13.03 26.99 Favored 'Trans proline' 0 N--CA 1.465 -0.16 0 C-N-CA 122.94 2.427 . . . . 0.0 112.086 179.152 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1942 ' ' SER . . . . . . . . . . . . . 56.8 m -90.89 8.88 32.78 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.989 -0.551 . . . . 0.0 111.209 -179.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1943 ' ' ASP . . . . . . . . . . . . . 13.0 t70 -113.1 97.66 6.65 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.918 0.39 . . . . 0.0 110.256 178.216 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1944 ' ' VAL . . . . . . . . . . . . . 8.0 p -72.65 -22.6 20.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.051 -175.533 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1945 ' ' TYR . . . . . 0.457 ' O ' ' HG3' ' A' 1949 ' ' GLU . 85.6 m-85 -66.97 -40.7 87.51 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.068 -0.515 . . . . 0.0 109.925 -178.809 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1946 ' ' THR . . . . . 0.462 HG21 ' HB2' ' A' 1937 ' ' LEU . 89.4 m -58.58 -41.24 85.3 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.516 -0.765 . . . . 0.0 110.209 173.82 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1947 ' ' LYS . . . . . 0.514 ' HG3' ' HB2' ' A' 1875 ' ' SER . 30.4 ttpt -63.12 -44.32 95.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.782 -0.644 . . . . 0.0 110.415 179.031 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1948 ' ' LYS . . . . . 0.461 ' HE2' ' HA ' ' A' 1948 ' ' LYS . 8.8 mmpt? -55.76 -51.12 68.48 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.545 179.76 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1949 ' ' GLU . . . . . 0.457 ' HG3' ' O ' ' A' 1945 ' ' TYR . 24.9 mt-10 -66.02 -28.62 69.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.109 -177.122 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1950 ' ' LEU . . . . . 0.574 HD13 HD21 ' A' 1882 ' ' LEU . 7.5 tt -61.83 -52.03 65.81 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.518 -0.549 . . . . 0.0 109.518 176.684 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1951 ' ' ILE . . . . . 0.446 ' HA ' HG13 ' A' 1872 ' ' VAL . 1.9 mp -63.49 -44.18 98.67 Favored 'Isoleucine or valine' 0 C--O 1.235 0.322 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.442 177.483 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1952 ' ' GLU . . . . . . . . . . . . . 28.7 mm-40 -64.81 -24.69 67.63 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.883 -0.599 . . . . 0.0 112.084 -177.591 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1953 ' ' CYS . . . . . . . . . . . . . 7.4 t -88.47 -42.92 11.81 Favored 'General case' 0 C--N 1.323 -0.547 0 C-N-CA 120.999 -0.28 . . . . 0.0 110.55 179.538 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1954 ' ' ALA . . . . . 0.417 ' O ' HG22 ' A' 1957 ' ' VAL . . . -62.07 -37.28 84.41 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.641 -177.482 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1955 ' ' ARG . . . . . . . . . . . . . 8.3 ptp180 -59.39 -26.95 65.56 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.984 0.421 . . . . 0.0 110.835 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1956 ' ' ARG . . . . . 0.635 ' O ' ' HG3' ' A' 1960 ' ' LYS . 27.9 mtt180 -81.7 -31.79 31.99 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.674 -176.796 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1957 ' ' VAL . . . . . 0.531 ' O ' HG13 ' A' 1961 ' ' VAL . 5.0 m -83.61 -23.51 8.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 C-N-CA 120.591 -0.444 . . . . 0.0 111.326 -175.36 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1958 ' ' SER . . . . . 0.662 ' O ' HG23 ' A' 1961 ' ' VAL . 18.7 m -59.7 -34.66 73.18 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-O 120.968 0.413 . . . . 0.0 110.979 179.522 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1959 ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -81.35 -26.25 35.7 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.704 0.288 . . . . 0.0 110.638 176.531 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1960 ' ' LYS . . . . . 0.635 ' HG3' ' O ' ' A' 1956 ' ' ARG . 57.9 mttm -67.96 -30.62 69.95 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.616 -0.266 . . . . 0.0 110.506 -179.554 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1961 ' ' VAL . . . . . 0.709 HG21 ' HB2' ' A' 1865 ' ' ALA . 2.5 m -65.35 -35.68 75.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 N-CA-C 109.095 -0.705 . . . . 0.0 109.095 175.026 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1962 ' ' SER . . . . . 0.568 ' HA ' HD13 ' A' 1965 ' ' LEU . 50.5 m -71.58 -24.66 61.95 Favored 'General case' 0 N--CA 1.45 -0.45 0 CA-C-N 114.93 -1.032 . . . . 0.0 110.186 177.487 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1963 ' ' HIS . . . . . 0.487 ' HB3' ' CD ' ' A' 1919 ' ' ARG . 59.0 m170 -73.83 -33.16 64.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.294 178.881 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1964 ' ' VAL . . . . . . . . . . . . . 96.4 t -66.38 -41.0 88.08 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.22 0 N-CA-C 109.188 -0.671 . . . . 0.0 109.188 174.1 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1965 ' ' LEU . . . . . 0.568 HD13 ' HA ' ' A' 1962 ' ' SER . 66.7 mt -58.69 -50.11 75.1 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.269 -0.878 . . . . 0.0 110.57 177.6 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1966 ' ' ALA . . . . . . . . . . . . . . . -68.71 -38.53 80.32 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.955 -0.566 . . . . 0.0 112.264 -176.16 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1967 ' ' ALA . . . . . . . . . . . . . . . -61.14 -41.15 96.22 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-O 121.202 0.525 . . . . 0.0 111.173 178.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1968 ' ' LEU . . . . . 0.837 ' HB3' ' HG3' ' A' 1854 ' ' GLN . 4.9 mp -71.78 -39.6 69.82 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.714 -0.675 . . . . 0.0 111.217 -179.479 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1969 ' ' GLN . . . . . . . . . . . . . 66.9 mt-30 -90.63 33.18 0.92 Allowed 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.546 -178.053 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1970 ' ' ALA . . . . . . . . . . . . . . . -104.4 40.59 1.44 Allowed 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.961 -178.738 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1971 ' ' GLY . . . . . . . . . . . . . . . -78.24 -161.79 18.64 Favored Glycine 0 N--CA 1.448 -0.508 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.425 -179.005 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1972 ' ' ASN . . . . . . . . . . . . . 28.1 p-10 -66.26 -26.56 67.41 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.028 0.442 . . . . 0.0 111.059 -179.846 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1973 ' ' ARG . . . . . . . . . . . . . 35.2 ttm180 . . . . . 0 C--O 1.247 0.96 0 CA-C-O 118.564 -0.731 . . . . 0.0 110.23 -178.683 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A 1837 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.852 0 N-CA-C 112.157 -0.377 . . . . 0.0 112.157 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A 1838 ' ' ILE . . . . . . . . . . . . . 8.2 tp -161.73 125.66 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 N-CA-C 109.629 -0.508 . . . . 0.0 109.629 178.851 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1839 ' ' ASP . . . . . 0.474 ' CG ' ' HG1' ' A' 1842 ' ' THR . 11.8 t70 -96.73 130.97 28.97 Favored Pre-proline 0 C--N 1.323 -0.58 0 C-N-CA 120.734 -0.386 . . . . 0.0 110.084 -178.863 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1840 ' ' PRO . . . . . . . . . . . . . 49.7 Cg_endo -69.64 -21.77 33.59 Favored 'Trans proline' 0 CA--C 1.532 0.395 0 C-N-CA 122.886 2.39 . . . . 0.0 114.14 -174.266 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1841 ' ' PHE . . . . . . . . . . . . . 83.4 m-85 -130.19 -37.57 1.45 Allowed 'General case' 0 C--N 1.332 -0.184 0 N-CA-C 113.107 0.78 . . . . 0.0 113.107 -173.307 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1842 ' ' THR . . . . . 0.474 ' HG1' ' CG ' ' A' 1839 ' ' ASP . 55.6 p -101.06 163.72 12.15 Favored 'General case' 0 C--N 1.322 -0.598 0 C-N-CA 120.653 -0.419 . . . . 0.0 110.984 -178.687 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1843 ' ' MET . . . . . . . . . . . . . 1.3 pmm? -93.61 141.83 28.04 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.144 178.813 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1844 ' ' GLY . . . . . 0.675 ' HA2' HG22 ' A' 1851 ' ' VAL . . . 101.51 178.29 28.49 Favored Glycine 0 N--CA 1.447 -0.615 0 C-N-CA 120.679 -0.772 . . . . 0.0 113.234 175.623 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1845 ' ' ASP . . . . . 0.407 ' OD2' ' HD3' ' A' 1973 ' ' ARG . 15.1 t70 -145.22 152.12 49.82 Favored Pre-proline 0 C--N 1.324 -0.53 0 N-CA-C 107.489 -1.301 . . . . 0.0 107.489 179.467 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1846 ' ' PRO . . . . . . . . . . . . . 32.6 Cg_exo -62.68 42.84 0.09 OUTLIER 'Trans proline' 0 N--CA 1.482 0.82 0 C-N-CA 123.348 2.699 . . . . 0.0 115.059 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1847 ' ' GLU . . . . . 0.404 ' OE2' HG13 ' A' 1851 ' ' VAL . 1.1 pp20? -106.32 -19.09 13.8 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.246 0.546 . . . . 0.0 110.411 172.372 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1848 ' ' GLY . . . . . . . . . . . . . . . 136.76 -90.59 0.21 Allowed Glycine 0 N--CA 1.444 -0.818 0 CA-C-N 115.641 -0.709 . . . . 0.0 112.144 -178.092 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1849 ' ' SER . . . . . . . . . . . . . 37.5 m -153.83 7.25 0.34 Allowed 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 111.721 0.267 . . . . 0.0 111.721 -177.061 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1850 ' ' PHE . . . . . 0.4 ' HA ' ' HD1' ' A' 1853 ' ' TYR . 87.2 t80 -64.65 -20.53 66.34 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.698 0.285 . . . . 0.0 111.207 -172.394 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1851 ' ' VAL . . . . . 0.675 HG22 ' HA2' ' A' 1844 ' ' GLY . 23.2 m -52.94 -35.02 21.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.159 -0.473 . . . . 0.0 112.215 -179.278 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1852 ' ' ASP . . . . . . . . . . . . . 32.2 t70 -78.04 -45.55 23.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.025 0.441 . . . . 0.0 110.619 -179.795 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1853 ' ' TYR . . . . . 0.587 ' O ' ' HG3' ' A' 1857 ' ' MET . 75.9 m-85 -61.29 -36.72 80.85 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.364 -179.874 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1854 ' ' GLN . . . . . 0.798 ' HG3' ' HB3' ' A' 1968 ' ' LEU . 23.9 tt0 -62.81 -57.69 10.0 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.507 174.751 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1855 ' ' THR . . . . . 0.528 ' O ' ' HG2' ' A' 1859 ' ' ARG . 30.6 m -57.55 -41.52 81.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.877 -173.873 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1856 ' ' THR . . . . . 0.449 HG22 ' O ' ' A' 1853 ' ' TYR . 13.8 t -60.3 -41.58 93.72 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.739 0.305 . . . . 0.0 111.416 -176.246 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1857 ' ' MET . . . . . 0.722 ' HG2' ' HB2' ' A' 1899 ' ' GLN . 4.0 mtp -82.55 -31.2 29.22 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 120.688 -0.405 . . . . 0.0 110.874 -175.605 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1858 ' ' VAL . . . . . 0.491 HG23 ' O ' ' A' 1855 ' ' THR . 15.1 m -66.48 -35.28 74.5 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.283 0 C-N-CA 120.109 -0.636 . . . . 0.0 110.077 178.145 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1859 ' ' ARG . . . . . 0.528 ' HG2' ' O ' ' A' 1855 ' ' THR . 22.0 mmm180 -64.22 -37.68 88.35 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 121.225 0.536 . . . . 0.0 109.66 175.489 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1860 ' ' THR . . . . . 0.513 ' O ' HG13 ' A' 1864 ' ' ILE . 30.7 m -70.78 -45.29 64.95 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.262 -0.881 . . . . 0.0 111.075 -179.687 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1861 ' ' ALA . . . . . . . . . . . . . . . -60.03 -41.47 92.3 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.19 -179.185 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1862 ' ' LYS . . . . . . . . . . . . . 54.8 mttm -67.1 -28.97 68.61 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.638 178.389 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1863 ' ' ALA . . . . . . . . . . . . . . . -73.85 -37.68 64.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.35 176.566 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1864 ' ' ILE . . . . . 0.791 HG12 ' HB3' ' A' 1892 ' ' ASP . 61.6 mt -64.26 -43.15 97.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-O 121.092 0.472 . . . . 0.0 110.013 175.413 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1865 ' ' ALA . . . . . 0.72 ' HB1' HG22 ' A' 1961 ' ' VAL . . . -58.06 -46.58 85.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.537 -0.756 . . . . 0.0 112.068 -177.462 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1866 ' ' VAL . . . . . . . . . . . . . 11.6 p -64.21 -34.33 68.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 C-N-CA 120.597 -0.441 . . . . 0.0 110.606 -178.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1867 ' ' THR . . . . . 0.709 ' O ' ' HG3' ' A' 1871 ' ' MET . 68.9 m -65.43 -51.82 57.54 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.552 -0.294 . . . . 0.0 110.832 178.222 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1868 ' ' VAL . . . . . 0.489 HG12 ' O ' ' A' 1864 ' ' ILE . 4.7 m -65.96 -32.2 57.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-O 121.375 0.607 . . . . 0.0 110.854 -176.686 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1869 ' ' GLN . . . . . 0.405 ' HB3' ' O ' ' A' 1865 ' ' ALA . 0.0 OUTLIER -72.34 -31.24 65.47 Favored 'General case' 0 N--CA 1.443 -0.811 0 CA-C-N 115.37 -0.832 . . . . 0.0 109.695 177.894 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A 1870 ' ' GLU . . . . . 0.611 ' O ' ' HG2' ' A' 1874 ' ' LYS . 23.5 mt-10 -66.95 -47.8 70.54 Favored 'General case' 0 C--O 1.22 -0.448 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.2 170.477 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1871 ' ' MET . . . . . 0.709 ' HG3' ' O ' ' A' 1867 ' ' THR . 59.7 mtp -52.81 -42.59 65.25 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.904 -174.547 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1872 ' ' VAL . . . . . 0.486 ' CG1' ' HB2' ' A' 1954 ' ' ALA . 29.5 m -70.43 -35.83 63.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 C-N-CA 120.797 -0.361 . . . . 0.0 111.231 178.757 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1873 ' ' THR . . . . . . . . . . . . . 94.6 m -70.08 -40.03 75.24 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 121.35 0.595 . . . . 0.0 110.463 178.412 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1874 ' ' LYS . . . . . 0.611 ' HG2' ' O ' ' A' 1870 ' ' GLU . 31.2 mmtp -74.97 -17.51 60.53 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.522 -0.763 . . . . 0.0 111.353 -176.092 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1875 ' ' SER . . . . . . . . . . . . . 85.2 p -63.48 -16.28 60.22 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.166 0.507 . . . . 0.0 110.916 -179.144 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1876 ' ' ASN . . . . . . . . . . . . . 77.2 m-20 -85.52 -60.53 2.0 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.258 -178.121 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1877 ' ' THR . . . . . . . . . . . . . 33.6 p -118.19 2.52 11.99 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 112.678 0.621 . . . . 0.0 112.678 -171.834 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1878 ' ' SER . . . . . 0.46 ' HB3' ' HG2' ' A' 1881 ' ' GLU . 66.6 m -141.8 54.87 4.34 Favored Pre-proline 0 C--N 1.324 -0.534 0 N-CA-C 112.857 0.688 . . . . 0.0 112.857 -172.379 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1879 ' ' PRO . . . . . 0.784 ' HA ' HD13 ' A' 1882 ' ' LEU . 87.1 Cg_endo -78.8 -4.03 13.71 Favored 'Trans proline' 0 N--CA 1.454 -0.82 0 C-N-CA 121.028 1.152 . . . . 0.0 111.779 -177.506 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1880 ' ' GLU . . . . . . . . . . . . . 20.5 mm-40 -79.6 -45.08 19.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.006 178.629 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1881 ' ' GLU . . . . . 0.46 ' HG2' ' HB3' ' A' 1878 ' ' SER . 11.4 pt-20 -77.04 -11.83 59.86 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-O 121.142 0.496 . . . . 0.0 111.175 -178.284 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1882 ' ' LEU . . . . . 0.784 HD13 ' HA ' ' A' 1879 ' ' PRO . 1.9 mt -60.29 -27.37 67.23 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.603 -0.726 . . . . 0.0 112.25 179.594 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1883 ' ' GLY . . . . . . . . . . . . . . . -62.29 -60.77 7.41 Favored Glycine 0 CA--C 1.519 0.332 0 C-N-CA 120.519 -0.848 . . . . 0.0 111.747 174.764 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1884 ' ' PRO . . . . . . . . . . . . . 53.6 Cg_exo -50.19 -39.72 51.8 Favored 'Trans proline' 0 C--N 1.345 0.386 0 C-N-CA 122.791 2.327 . . . . 0.0 112.609 172.279 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1885 ' ' LEU . . . . . . . . . . . . . 33.7 mt -63.83 -36.82 85.16 Favored 'General case' 0 C--O 1.231 0.09 0 CA-C-O 120.643 0.259 . . . . 0.0 111.209 179.785 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1886 ' ' ALA . . . . . . . . . . . . . . . -65.27 -42.08 93.58 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.193 0.521 . . . . 0.0 110.343 176.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1887 ' ' ASN . . . . . . . . . . . . . 6.8 m-20 -65.42 -37.45 86.97 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.331 0.586 . . . . 0.0 109.762 176.656 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1888 ' ' GLN . . . . . . . . . . . . . 59.5 tp60 -62.11 -48.83 78.41 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.104 -0.953 . . . . 0.0 110.583 178.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1889 ' ' LEU . . . . . 0.411 HD11 ' SD ' ' A' 1871 ' ' MET . 0.5 OUTLIER -58.68 -43.25 89.89 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.291 0.567 . . . . 0.0 109.541 177.799 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A 1890 ' ' THR . . . . . . . . . . . . . 76.4 m -60.4 -40.09 89.72 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.34 -0.846 . . . . 0.0 111.077 178.647 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1891 ' ' SER . . . . . . . . . . . . . 30.3 t -71.59 -47.32 55.54 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.794 179.204 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1892 ' ' ASP . . . . . 0.791 ' HB3' HG12 ' A' 1864 ' ' ILE . 17.5 m-20 -59.12 -41.94 89.4 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.571 -178.167 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1893 ' ' TYR . . . . . . . . . . . . . 42.7 t80 -61.92 -40.29 94.98 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 120.909 -0.316 . . . . 0.0 111.104 -179.491 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1894 ' ' GLY . . . . . . . . . . . . . . . -57.74 -42.95 94.69 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.831 -0.7 . . . . 0.0 111.876 179.323 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1895 ' ' ARG . . . . . . . . . . . . . 67.3 ttt180 -61.17 -44.21 97.67 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.096 0.474 . . . . 0.0 110.457 178.223 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1896 ' ' LEU . . . . . 0.756 HD11 HG13 ' A' 1964 ' ' VAL . 43.7 tp -64.3 -57.28 9.86 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.751 -0.659 . . . . 0.0 111.724 -178.137 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1897 ' ' ALA . . . . . . . . . . . . . . . -60.32 -23.2 64.03 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.718 -0.674 . . . . 0.0 112.357 -173.229 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1898 ' ' SER . . . . . . . . . . . . . 55.6 m -80.91 -24.42 38.23 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 121.085 0.469 . . . . 0.0 110.752 -172.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1899 ' ' GLN . . . . . 0.722 ' HB2' ' HG2' ' A' 1857 ' ' MET . 0.0 OUTLIER -84.1 -11.3 56.87 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.204 -179.778 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A 1900 ' ' ALA . . . . . . . . . . . . . . . -69.06 -30.75 69.15 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.043 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1901 ' ' LYS . . . . . 0.651 ' HB3' ' HD3' ' A' 1902 ' ' PRO . 8.2 tmtt? -64.53 -57.0 18.58 Favored Pre-proline 0 CA--C 1.538 0.507 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.597 -178.759 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1902 ' ' PRO . . . . . 0.651 ' HD3' ' HB3' ' A' 1901 ' ' LYS . 15.6 Cg_exo -69.03 -30.44 25.68 Favored 'Trans proline' 0 C--N 1.354 0.863 0 C-N-CA 121.871 1.714 . . . . 0.0 112.345 179.834 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1903 ' ' ALA . . . . . . . . . . . . . . . -66.38 -36.26 82.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.835 0.35 . . . . 0.0 111.344 -178.773 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1904 ' ' ALA . . . . . . . . . . . . . . . -70.14 -32.11 69.94 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.767 -175.576 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1905 ' ' VAL . . . . . . . . . . . . . 34.1 m -94.57 -7.31 10.03 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.471 -176.29 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1906 ' ' ALA . . . . . . . . . . . . . . . -100.98 -7.59 23.19 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.815 0.34 . . . . 0.0 111.252 -179.518 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1907 ' ' ALA . . . . . . . . . . . . . . . -84.82 144.97 28.1 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.55 179.699 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1908 ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -86.25 -12.44 49.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.162 178.14 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1909 ' ' ASN . . . . . 0.532 ' HB3' HG13 ' A' 1912 ' ' ILE . 50.1 t-20 -109.96 131.75 54.77 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 109.822 -0.436 . . . . 0.0 109.822 -179.091 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1910 ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -53.31 -52.16 60.02 Favored 'General case' 0 C--N 1.328 -0.341 0 O-C-N 123.877 0.735 . . . . 0.0 111.474 179.487 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1911 ' ' GLU . . . . . . . . . . . . . 13.0 mt-10 -66.13 -31.93 73.08 Favored 'General case' 0 N--CA 1.448 -0.55 0 CA-C-N 115.734 -0.666 . . . . 0.0 112.133 -171.67 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1912 ' ' ILE . . . . . 0.567 ' O ' HG13 ' A' 1916 ' ' ILE . 63.7 mt -57.84 -53.69 41.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 C-N-CA 120.61 -0.436 . . . . 0.0 110.093 179.125 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1913 ' ' GLY . . . . . . . . . . . . . . . -67.13 -29.05 73.98 Favored Glycine 0 N--CA 1.449 -0.487 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.175 -179.359 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1914 ' ' ALA . . . . . . . . . . . . . . . -74.38 -48.61 26.85 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.656 0.265 . . . . 0.0 110.856 -178.645 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1915 ' ' HIS . . . . . . . . . . . . . 70.1 m-70 -59.42 -38.9 81.83 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.317 -177.048 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1916 ' ' ILE . . . . . 0.567 HG13 ' O ' ' A' 1912 ' ' ILE . 82.9 mt -53.02 -55.62 11.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.967 178.708 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1917 ' ' LYS . . . . . 0.413 ' HA ' HG23 ' A' 1920 ' ' VAL . 48.4 mtmt -67.25 -24.65 65.82 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.8 -0.636 . . . . 0.0 112.032 -176.109 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1918 ' ' HIS . . . . . . . . . . . . . 74.4 m-70 -78.13 -34.96 49.62 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.039 0.447 . . . . 0.0 110.858 177.633 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1919 ' ' ARG . . . . . 0.469 ' CD ' ' HB3' ' A' 1963 ' ' HIS . 24.7 mmt180 -81.01 -32.95 33.97 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.848 -176.554 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1920 ' ' VAL . . . . . 0.413 HG23 ' HA ' ' A' 1917 ' ' LYS . 35.5 m -70.27 -24.35 25.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 C-N-CA 120.51 -0.476 . . . . 0.0 110.057 175.869 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1921 ' ' GLN . . . . . . . . . . . . . 30.2 tt0 -66.06 -36.38 83.06 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.091 -0.504 . . . . 0.0 109.947 175.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1922 ' ' GLU . . . . . 0.951 ' HB3' ' HD3' ' A' 1960 ' ' LYS . 33.4 mt-10 -58.26 -52.7 64.46 Favored 'General case' 0 CA--C 1.521 -0.164 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.251 175.104 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1923 ' ' LEU . . . . . 0.408 ' CD2' ' HB ' ' A' 1957 ' ' VAL . 69.8 mt -65.35 -23.71 67.06 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.411 -0.813 . . . . 0.0 111.33 -179.54 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1924 ' ' GLY . . . . . . . . . . . . . . . -63.09 -53.52 39.64 Favored Glycine 0 N--CA 1.448 -0.549 0 C-N-CA 120.719 -0.753 . . . . 0.0 111.739 176.325 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1925 ' ' HIS . . . . . . . . . . . . . 38.6 m80 -74.65 -30.48 61.63 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.838 0.352 . . . . 0.0 110.351 179.817 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1926 ' ' GLY . . . . . . . . . . . . . . . -67.39 -41.46 90.94 Favored Glycine 0 N--CA 1.448 -0.518 0 C-N-CA 120.867 -0.683 . . . . 0.0 112.151 177.274 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1927 ' ' CYS . . . . . . . . . . . . . 52.6 t -62.61 -52.27 64.01 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 110.426 -0.213 . . . . 0.0 110.426 179.057 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1928 ' ' SER . . . . . . . . . . . . . 10.4 p -60.33 -35.92 76.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.905 0.383 . . . . 0.0 111.121 -178.203 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1929 ' ' ALA . . . . . . . . . . . . . . . -68.78 -50.91 46.49 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.705 177.36 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1930 ' ' LEU . . . . . 0.494 HD11 ' HB3' ' A' 1954 ' ' ALA . 0.6 OUTLIER -62.57 -48.07 81.06 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.76 -0.654 . . . . 0.0 111.102 -175.84 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A 1931 ' ' VAL . . . . . . . . . . . . . 22.9 m -64.96 -27.87 43.43 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-O 120.726 0.298 . . . . 0.0 111.457 -176.272 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1932 ' ' THR . . . . . . . . . . . . . 89.0 m -71.91 -43.49 65.25 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.993 0.425 . . . . 0.0 110.06 175.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1933 ' ' LYS . . . . . . . . . . . . . 31.7 mmtp -69.33 -37.25 77.62 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.661 179.711 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1934 ' ' ALA . . . . . 0.417 ' HA ' HD13 ' A' 1950 ' ' LEU . . . -62.67 -46.93 85.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.741 176.253 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1935 ' ' GLY . . . . . . . . . . . . . . . -63.92 -40.1 97.97 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.889 -0.672 . . . . 0.0 111.907 178.293 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1936 ' ' ALA . . . . . . . . . . . . . . . -65.15 -37.15 86.48 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.771 0.32 . . . . 0.0 111.214 178.446 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1937 ' ' LEU . . . . . 0.446 ' HB2' HG22 ' A' 1946 ' ' THR . 49.1 tp -71.96 -31.62 66.48 Favored 'General case' 0 CA--C 1.515 -0.367 0 CA-C-O 120.826 0.346 . . . . 0.0 110.473 179.342 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1938 ' ' GLN . . . . . 0.581 ' HG3' ' O ' ' A' 1879 ' ' PRO . 5.2 tt0 -68.88 -26.31 65.06 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.373 0.606 . . . . 0.0 109.423 178.017 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1939 ' ' CYS . . . . . . . . . . . . . 49.5 t -81.25 -40.53 23.6 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.491 175.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1940 ' ' SER . . . . . . . . . . . . . 72.2 m -132.07 86.76 46.09 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.19 179.344 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1941 ' ' PRO . . . . . . . . . . . . . 3.3 Cg_exo -78.76 -13.32 14.58 Favored 'Trans proline' 0 C--N 1.344 0.307 0 C-N-CA 123.218 2.612 . . . . 0.0 112.579 -179.263 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1942 ' ' SER . . . . . . . . . . . . . 16.2 m -88.54 -4.68 58.55 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.186 0.517 . . . . 0.0 110.306 -179.363 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1943 ' ' ASP . . . . . . . . . . . . . 19.6 t70 -90.98 117.96 29.98 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.7 -0.682 . . . . 0.0 109.772 177.798 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1944 ' ' VAL . . . . . 0.405 ' O ' ' HG2' ' A' 1948 ' ' LYS . 6.0 p -75.57 -30.7 22.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-N 116.422 -0.353 . . . . 0.0 110.875 -175.475 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1945 ' ' TYR . . . . . . . . . . . . . 96.4 m-85 -60.57 -49.65 76.67 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.802 0.334 . . . . 0.0 110.761 -176.84 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1946 ' ' THR . . . . . 0.446 HG22 ' HB2' ' A' 1937 ' ' LEU . 27.7 m -58.15 -40.55 81.65 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.658 177.932 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1947 ' ' LYS . . . . . 0.401 ' O ' HD13 ' A' 1951 ' ' ILE . 6.0 ttpp -65.42 -45.3 84.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.757 -0.656 . . . . 0.0 109.936 179.175 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1948 ' ' LYS . . . . . 0.46 ' HE2' ' HA ' ' A' 1948 ' ' LYS . 8.4 mmpt? -58.68 -48.9 79.51 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.209 179.24 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1949 ' ' GLU . . . . . . . . . . . . . 49.8 mm-40 -53.6 -45.24 69.97 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.514 -0.766 . . . . 0.0 111.337 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1950 ' ' LEU . . . . . 0.417 HD13 ' HA ' ' A' 1934 ' ' ALA . 7.2 tt -58.89 -45.24 90.72 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.271 179.836 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1951 ' ' ILE . . . . . 0.448 ' HA ' HG13 ' A' 1872 ' ' VAL . 1.7 mp -62.64 -41.83 93.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.617 177.802 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1952 ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -67.79 -22.46 65.19 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.943 -178.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1953 ' ' CYS . . . . . . . . . . . . . 86.0 m -86.21 -52.16 5.82 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.428 -178.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1954 ' ' ALA . . . . . 0.494 ' HB3' HD11 ' A' 1930 ' ' LEU . . . -65.88 -33.68 76.38 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 111.613 0.227 . . . . 0.0 111.613 -176.392 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1955 ' ' ARG . . . . . . . . . . . . . 17.0 ptm180 -60.81 -32.26 71.63 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.9 0.381 . . . . 0.0 110.162 178.36 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1956 ' ' ARG . . . . . 0.499 ' O ' ' HG3' ' A' 1960 ' ' LYS . 90.7 mtt180 -75.77 -49.89 16.83 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.513 -179.748 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1957 ' ' VAL . . . . . 0.623 ' O ' HG11 ' A' 1961 ' ' VAL . 10.4 m -67.07 -26.39 36.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.588 -174.81 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1958 ' ' SER . . . . . 0.614 ' O ' HG21 ' A' 1961 ' ' VAL . 28.7 t -60.36 -32.26 71.11 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-O 121.072 0.463 . . . . 0.0 110.42 176.877 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1959 ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -81.86 -32.54 31.05 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 122.081 -0.387 . . . . 0.0 111.001 173.857 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1960 ' ' LYS . . . . . 0.951 ' HD3' ' HB3' ' A' 1922 ' ' GLU . 60.8 mttm -64.59 -33.36 75.75 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.497 -179.309 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1961 ' ' VAL . . . . . 0.72 HG22 ' HB1' ' A' 1865 ' ' ALA . 5.4 m -67.71 -34.77 69.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 N-CA-C 109.694 -0.484 . . . . 0.0 109.694 174.529 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1962 ' ' SER . . . . . 0.575 ' HA ' HD12 ' A' 1965 ' ' LEU . 29.9 t -69.65 -28.13 65.63 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.736 -0.665 . . . . 0.0 109.911 176.719 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1963 ' ' HIS . . . . . 0.469 ' HB3' ' CD ' ' A' 1919 ' ' ARG . 51.6 m170 -70.15 -34.48 73.07 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.27 178.805 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1964 ' ' VAL . . . . . 0.756 HG13 HD11 ' A' 1896 ' ' LEU . 77.7 t -67.45 -42.61 87.35 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.116 0 N-CA-C 109.136 -0.69 . . . . 0.0 109.136 173.469 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1965 ' ' LEU . . . . . 0.616 ' HG ' ' O ' ' A' 1961 ' ' VAL . 76.1 mt -57.23 -45.55 83.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.312 -0.858 . . . . 0.0 110.465 177.513 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1966 ' ' ALA . . . . . . . . . . . . . . . -69.05 -41.71 77.25 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.553 -179.392 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1967 ' ' ALA . . . . . . . . . . . . . . . -60.63 -42.64 97.31 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.029 0.442 . . . . 0.0 110.996 178.761 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1968 ' ' LEU . . . . . 0.798 ' HB3' ' HG3' ' A' 1854 ' ' GLN . 91.9 mt -71.87 -33.28 68.26 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.225 -179.711 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1969 ' ' GLN . . . . . . . . . . . . . 48.7 mt-30 -89.54 12.54 16.33 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.655 0.264 . . . . 0.0 111.299 -178.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1970 ' ' ALA . . . . . 0.408 ' HB1' HG12 ' A' 1912 ' ' ILE . . . -74.75 -7.24 52.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.476 0.655 . . . . 0.0 109.952 174.245 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1971 ' ' GLY . . . . . . . . . . . . . . . -94.12 19.43 53.29 Favored Glycine 0 N--CA 1.445 -0.718 0 CA-C-N 115.474 -0.785 . . . . 0.0 111.736 175.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1972 ' ' ASN . . . . . . . . . . . . . 22.4 p-10 -78.78 175.12 10.76 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.955 -0.387 . . . . 0.0 109.955 177.83 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1973 ' ' ARG . . . . . 0.425 HH11 ' HD3' ' A' 1973 ' ' ARG . 0.7 OUTLIER . . . . . 0 C--O 1.246 0.915 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.102 -176.67 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1837 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.522 0 N-CA-C 112.084 -0.406 . . . . 0.0 112.084 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A 1838 ' ' ILE . . . . . . . . . . . . . 49.5 mt -130.56 122.25 52.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-O 120.9 0.381 . . . . 0.0 110.49 178.696 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1839 ' ' ASP . . . . . 0.455 ' HA ' ' HD3' ' A' 1840 ' ' PRO . 9.0 m-20 -73.88 141.01 78.08 Favored Pre-proline 0 C--N 1.324 -0.507 0 CA-C-N 115.683 -0.689 . . . . 0.0 110.242 177.765 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1840 ' ' PRO . . . . . 0.455 ' HD3' ' HA ' ' A' 1839 ' ' ASP . 2.2 Cg_endo -85.47 21.77 1.04 Allowed 'Trans proline' 0 N--CA 1.457 -0.662 0 C-N-CA 123.436 2.757 . . . . 0.0 112.072 -178.671 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1841 ' ' PHE . . . . . . . . . . . . . 30.5 t80 -75.94 121.95 23.45 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.408 -176.425 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1842 ' ' THR . . . . . . . . . . . . . 72.6 p 50.02 77.89 0.11 Allowed 'General case' 0 C--N 1.329 -0.287 0 O-C-N 123.983 0.802 . . . . 0.0 111.643 -178.409 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1843 ' ' MET . . . . . . . . . . . . . 75.9 mtp 61.01 79.49 0.25 Allowed 'General case' 0 C--O 1.233 0.193 0 CA-C-N 115.032 -0.985 . . . . 0.0 111.159 -179.275 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1844 ' ' GLY . . . . . . . . . . . . . . . -140.51 131.04 4.82 Favored Glycine 0 N--CA 1.446 -0.639 0 C-N-CA 120.858 -0.687 . . . . 0.0 111.968 -179.459 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1845 ' ' ASP . . . . . . . . . . . . . 34.2 t70 -115.06 121.92 34.33 Favored Pre-proline 0 C--N 1.321 -0.653 0 N-CA-C 110.092 -0.336 . . . . 0.0 110.092 179.479 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1846 ' ' PRO . . . . . . . . . . . . . 11.6 Cg_endo -57.27 -70.11 0.04 OUTLIER 'Trans proline' 0 CA--C 1.529 0.264 0 C-N-CA 123.423 2.749 . . . . 0.0 113.124 -174.024 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1847 ' ' GLU . . . . . 0.697 ' HB3' ' HG2' ' A' 1908 ' ' GLU . 0.5 OUTLIER -117.08 112.97 21.64 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.497 0.665 . . . . 0.0 110.49 178.481 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A 1848 ' ' GLY . . . . . . . . . . . . . . . -82.22 151.47 29.96 Favored Glycine 0 N--CA 1.448 -0.541 0 CA-C-N 115.461 -0.791 . . . . 0.0 113.271 -172.25 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1849 ' ' SER . . . . . . . . . . . . . 52.2 m 74.06 -11.09 1.02 Allowed 'General case' 0 N--CA 1.465 0.294 0 C-N-CA 123.573 0.749 . . . . 0.0 112.266 177.154 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1850 ' ' PHE . . . . . . . . . . . . . 63.6 t80 -61.31 -29.46 69.89 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.408 0.623 . . . . 0.0 109.424 173.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1851 ' ' VAL . . . . . . . . . . . . . 9.3 m -62.99 -29.29 46.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 114.897 -1.047 . . . . 0.0 111.75 -177.439 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1852 ' ' ASP . . . . . . . . . . . . . 26.9 m-20 -71.41 -49.74 38.9 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.107 0.479 . . . . 0.0 110.205 -178.35 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1853 ' ' TYR . . . . . 0.611 ' O ' HG23 ' A' 1856 ' ' THR . 49.1 m-85 -70.91 -33.48 70.58 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.037 -179.754 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1854 ' ' GLN . . . . . 0.957 ' HG3' ' HB3' ' A' 1968 ' ' LEU . 45.2 tt0 -57.72 -59.26 5.48 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.087 177.464 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1855 ' ' THR . . . . . 0.715 ' O ' ' HG2' ' A' 1859 ' ' ARG . 27.2 m -59.01 -34.87 72.38 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.577 -0.738 . . . . 0.0 111.781 -174.245 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1856 ' ' THR . . . . . 0.611 HG23 ' O ' ' A' 1853 ' ' TYR . 5.8 t -69.2 -45.41 69.96 Favored 'General case' 0 C--N 1.323 -0.554 0 C-N-CA 120.857 -0.337 . . . . 0.0 111.562 -174.551 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1857 ' ' MET . . . . . 0.506 ' HE1' ' HA ' ' A' 1900 ' ' ALA . 9.9 ptm -81.58 -26.95 34.53 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 111.857 0.318 . . . . 0.0 111.857 -173.142 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1858 ' ' VAL . . . . . 0.43 HG12 ' O ' ' A' 1854 ' ' GLN . 19.9 m -66.07 -29.26 46.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 C-N-CA 119.874 -0.73 . . . . 0.0 109.53 174.86 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1859 ' ' ARG . . . . . 0.715 ' HG2' ' O ' ' A' 1855 ' ' THR . 8.0 mmt180 -73.5 -41.45 63.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.122 176.771 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1860 ' ' THR . . . . . 0.427 ' O ' HG13 ' A' 1864 ' ' ILE . 5.9 m -64.4 -37.21 86.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.987 -0.552 . . . . 0.0 110.939 178.481 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1861 ' ' ALA . . . . . 0.42 ' HB1' ' HB ' ' A' 1961 ' ' VAL . . . -60.18 -41.8 93.64 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.087 0.47 . . . . 0.0 110.462 176.822 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1862 ' ' LYS . . . . . . . . . . . . . 52.9 mttm -65.49 -38.96 91.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.159 176.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1863 ' ' ALA . . . . . . . . . . . . . . . -62.1 -42.76 99.54 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.752 178.292 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1864 ' ' ILE . . . . . 0.572 ' O ' HG11 ' A' 1868 ' ' VAL . 58.9 mt -63.92 -45.58 96.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-O 120.921 0.391 . . . . 0.0 110.177 176.294 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1865 ' ' ALA . . . . . 0.727 ' HB1' HG22 ' A' 1961 ' ' VAL . . . -57.61 -44.79 85.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.897 -178.071 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1866 ' ' VAL . . . . . . . . . . . . . 14.6 p -67.08 -32.79 59.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 C-N-CA 120.684 -0.407 . . . . 0.0 110.38 179.853 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1867 ' ' THR . . . . . 0.625 ' O ' ' HG3' ' A' 1871 ' ' MET . 94.9 m -63.42 -53.8 46.6 Favored 'General case' 0 N--CA 1.455 -0.206 0 CA-C-N 116.688 -0.233 . . . . 0.0 110.802 176.559 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1868 ' ' VAL . . . . . 0.572 HG11 ' O ' ' A' 1864 ' ' ILE . 2.4 m -60.49 -31.89 49.95 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.242 0 CA-C-O 121.439 0.638 . . . . 0.0 110.276 -177.892 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1869 ' ' GLN . . . . . . . . . . . . . 8.7 tp-100 -75.88 -32.22 59.6 Favored 'General case' 0 N--CA 1.424 -1.751 0 CA-C-N 115.141 -0.936 . . . . 0.0 110.515 -178.586 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1870 ' ' GLU . . . . . 0.542 ' O ' ' HG2' ' A' 1874 ' ' LYS . 38.8 mt-10 -68.12 -44.88 75.14 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.264 -0.425 . . . . 0.0 109.95 171.894 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1871 ' ' MET . . . . . 0.625 ' HG3' ' O ' ' A' 1867 ' ' THR . 67.6 mtp -55.03 -49.89 70.43 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.471 -0.786 . . . . 0.0 111.058 -177.896 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1872 ' ' VAL . . . . . 0.551 ' HB ' HG13 ' A' 1951 ' ' ILE . 34.3 m -66.68 -30.37 49.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 C-N-CA 121.059 -0.256 . . . . 0.0 111.607 -179.279 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1873 ' ' THR . . . . . . . . . . . . . 58.8 m -68.43 -48.62 64.12 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 109.68 -0.489 . . . . 0.0 109.68 175.858 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1874 ' ' LYS . . . . . 0.542 ' HG2' ' O ' ' A' 1870 ' ' GLU . 69.5 mmtt -57.69 -34.83 69.83 Favored 'General case' 0 C--O 1.212 -0.881 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.682 177.134 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1875 ' ' SER . . . . . 0.415 ' HA ' HD12 ' A' 1882 ' ' LEU . 19.3 m -61.38 -10.71 7.87 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 112.378 0.51 . . . . 0.0 112.378 -176.817 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1876 ' ' ASN . . . . . . . . . . . . . 48.8 m-80 -93.55 -37.67 11.78 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 111.908 0.336 . . . . 0.0 111.908 -179.668 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1877 ' ' THR . . . . . . . . . . . . . 67.1 p -121.25 -24.7 5.42 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.246 0.546 . . . . 0.0 112.0 -175.775 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1878 ' ' SER . . . . . . . . . . . . . 11.7 m -132.95 85.04 47.32 Favored Pre-proline 0 N--CA 1.439 -0.999 0 CA-C-N 115.486 -0.779 . . . . 0.0 112.531 -166.151 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1879 ' ' PRO . . . . . 0.755 ' HA ' HD11 ' A' 1882 ' ' LEU . 7.3 Cg_exo -67.93 -29.35 34.59 Favored 'Trans proline' 0 C--N 1.319 -1.005 0 C-N-CA 121.405 1.404 . . . . 0.0 110.88 174.327 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1880 ' ' GLU . . . . . . . . . . . . . 43.8 mp0 -66.93 -38.11 85.56 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.147 -0.933 . . . . 0.0 111.047 -175.285 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1881 ' ' GLU . . . . . 0.413 ' HG3' ' HD2' ' A' 1874 ' ' LYS . 6.7 mm-40 -67.69 -15.93 63.89 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.761 -176.713 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1882 ' ' LEU . . . . . 0.755 HD11 ' HA ' ' A' 1879 ' ' PRO . 12.3 mt -74.22 -16.22 60.97 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.795 -176.884 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1883 ' ' GLY . . . . . . . . . . . . . . . -65.15 -61.7 5.54 Favored Glycine 0 CA--C 1.52 0.373 0 C-N-CA 120.62 -0.8 . . . . 0.0 112.374 178.156 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1884 ' ' PRO . . . . . . . . . . . . . 20.5 Cg_endo -63.34 -32.83 72.04 Favored 'Trans proline' 0 C--N 1.347 0.47 0 C-N-CA 122.441 2.094 . . . . 0.0 112.67 177.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1885 ' ' LEU . . . . . 0.599 ' HB3' ' HG2' ' A' 1871 ' ' MET . 54.7 mt -65.93 -34.91 79.19 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 111.761 0.282 . . . . 0.0 111.761 -177.887 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1886 ' ' ALA . . . . . . . . . . . . . . . -64.95 -41.7 95.27 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.135 0.493 . . . . 0.0 110.18 177.152 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1887 ' ' ASN . . . . . . . . . . . . . 87.2 m-20 -71.08 -29.51 65.39 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.062 177.563 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1888 ' ' GLN . . . . . . . . . . . . . 49.3 tp60 -65.9 -51.05 62.06 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.458 177.479 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1889 ' ' LEU . . . . . 0.414 HD12 ' SD ' ' A' 1871 ' ' MET . 1.2 tt -56.46 -46.63 80.27 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.46 0.647 . . . . 0.0 109.388 177.917 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1890 ' ' THR . . . . . . . . . . . . . 56.8 m -58.17 -35.18 71.19 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.117 -0.947 . . . . 0.0 111.16 178.684 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1891 ' ' SER . . . . . . . . . . . . . 28.9 t -69.91 -50.93 37.38 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.814 178.389 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1892 ' ' ASP . . . . . . . . . . . . . 77.2 m-20 -61.71 -41.76 98.05 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.348 -176.646 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1893 ' ' TYR . . . . . . . . . . . . . 39.1 t80 -56.94 -40.81 77.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.072 178.627 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1894 ' ' GLY . . . . . . . . . . . . . . . -57.34 -33.65 66.19 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 121.184 -0.531 . . . . 0.0 112.392 -179.041 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1895 ' ' ARG . . . . . 0.454 ' N ' ' HD2' ' A' 1895 ' ' ARG . 9.0 mpt_? -77.37 -49.96 13.78 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.649 0.261 . . . . 0.0 110.357 179.336 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1896 ' ' LEU . . . . . 0.631 HD13 HG12 ' A' 1964 ' ' VAL . 66.5 tp -55.46 -46.78 76.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.437 -177.847 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1897 ' ' ALA . . . . . . . . . . . . . . . -67.27 -27.05 66.88 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.446 -177.721 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1898 ' ' SER . . . . . . . . . . . . . 18.8 t -81.89 -29.27 32.48 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.334 0.588 . . . . 0.0 110.045 -176.166 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1899 ' ' GLN . . . . . 0.561 ' NE2' ' HG1' ' A' 1856 ' ' THR . 83.1 mt-30 -79.29 -12.06 59.94 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.397 -0.819 . . . . 0.0 110.453 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1900 ' ' ALA . . . . . 0.506 ' HA ' ' HE1' ' A' 1857 ' ' MET . . . -74.53 -35.96 63.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.677 -0.692 . . . . 0.0 111.838 -179.083 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1901 ' ' LYS . . . . . 0.486 ' HB3' ' HD3' ' A' 1902 ' ' PRO . 2.3 tmmm? -62.93 -57.75 19.87 Favored Pre-proline 0 CA--C 1.541 0.622 0 CA-C-N 116.52 -0.309 . . . . 0.0 111.144 -175.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1902 ' ' PRO . . . . . 0.486 ' HD3' ' HB3' ' A' 1901 ' ' LYS . 44.3 Cg_endo -67.46 -19.7 48.74 Favored 'Trans proline' 0 C--N 1.354 0.857 0 C-N-CA 121.934 1.756 . . . . 0.0 112.738 -177.804 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1903 ' ' ALA . . . . . . . . . . . . . . . -76.66 -33.66 58.29 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.095 0.474 . . . . 0.0 110.533 178.23 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1904 ' ' ALA . . . . . . . . . . . . . . . -71.27 -32.95 69.31 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.581 -177.092 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1905 ' ' VAL . . . . . . . . . . . . . 36.0 m -88.39 -15.69 9.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 115.639 -0.71 . . . . 0.0 110.987 179.449 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1906 ' ' ALA . . . . . . . . . . . . . . . -76.06 -43.9 41.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.271 -0.422 . . . . 0.0 109.94 176.641 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1907 ' ' ALA . . . . . . . . . . . . . . . -73.03 135.04 44.85 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.76 -0.654 . . . . 0.0 110.12 176.423 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1908 ' ' GLU . . . . . 0.697 ' HG2' ' HB3' ' A' 1847 ' ' GLU . 12.0 pt-20 -90.02 -21.1 22.53 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 120.888 0.375 . . . . 0.0 110.596 -177.565 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1909 ' ' ASN . . . . . . . . . . . . . 51.3 m-80 -76.55 144.39 39.72 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.054 0.454 . . . . 0.0 110.481 177.665 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1910 ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -60.81 -53.97 50.85 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.281 -0.872 . . . . 0.0 111.488 -177.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1911 ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 -68.05 -43.11 79.41 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.761 -0.654 . . . . 0.0 112.282 -171.635 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1912 ' ' ILE . . . . . 0.596 ' O ' HG13 ' A' 1916 ' ' ILE . 57.9 mt -53.67 -53.71 24.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 C-N-CA 120.927 -0.309 . . . . 0.0 110.438 -177.043 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1913 ' ' GLY . . . . . 0.561 ' HA2' HD11 ' A' 1916 ' ' ILE . . . -69.76 -28.35 72.16 Favored Glycine 0 CA--C 1.519 0.335 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.786 -179.884 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1914 ' ' ALA . . . . . . . . . . . . . . . -75.68 -40.65 55.56 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.655 0.264 . . . . 0.0 111.108 -177.161 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1915 ' ' HIS . . . . . 0.421 ' O ' ' HG2' ' A' 1919 ' ' ARG . 82.2 m-70 -67.04 -35.18 79.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.849 -179.205 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1916 ' ' ILE . . . . . 0.596 HG13 ' O ' ' A' 1912 ' ' ILE . 97.8 mt -53.35 -59.23 1.93 Allowed 'Isoleucine or valine' 0 C--O 1.233 0.219 0 CA-C-N 115.657 -0.701 . . . . 0.0 111.165 178.913 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1917 ' ' LYS . . . . . . . . . . . . . 51.8 mtmt -69.66 -27.45 65.04 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.28 -177.42 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1918 ' ' HIS . . . . . 0.446 ' O ' ' HG3' ' A' 1922 ' ' GLU . 41.6 t-80 -64.93 -46.16 82.79 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.973 0.416 . . . . 0.0 110.574 -178.766 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1919 ' ' ARG . . . . . 0.421 ' HG2' ' O ' ' A' 1915 ' ' HIS . 29.6 mmt180 -71.53 -37.65 71.14 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.633 -174.778 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1920 ' ' VAL . . . . . . . . . . . . . 23.2 m -71.7 -28.84 32.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.937 0.399 . . . . 0.0 110.382 179.031 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1921 ' ' GLN . . . . . . . . . . . . . 28.9 tt0 -66.78 -42.56 85.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.972 -0.558 . . . . 0.0 109.975 175.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1922 ' ' GLU . . . . . 0.446 ' HG3' ' O ' ' A' 1918 ' ' HIS . 40.3 mt-10 -65.08 -40.25 94.39 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.27 176.277 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1923 ' ' LEU . . . . . . . . . . . . . 30.0 mt -64.57 -33.15 75.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.165 177.643 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1924 ' ' GLY . . . . . . . . . . . . . . . -53.91 -45.09 71.57 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 121.273 -0.489 . . . . 0.0 112.806 179.706 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1925 ' ' HIS . . . . . . . . . . . . . 27.7 m80 -78.4 -31.87 48.48 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.917 0.389 . . . . 0.0 110.458 -178.8 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1926 ' ' GLY . . . . . . . . . . . . . . . -69.92 -40.43 74.15 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.207 179.668 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1927 ' ' CYS . . . . . . . . . . . . . 66.7 m -66.19 -43.13 87.72 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.463 0.173 . . . . 0.0 110.784 179.358 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1928 ' ' SER . . . . . . . . . . . . . 21.9 p -65.64 -33.56 76.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.953 0.406 . . . . 0.0 110.665 -178.571 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1929 ' ' ALA . . . . . . . . . . . . . . . -69.38 -45.51 69.14 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.332 176.499 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1930 ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -62.18 -50.23 72.63 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.636 -178.147 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1931 ' ' VAL . . . . . . . . . . . . . 27.6 m -63.08 -28.37 44.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-O 120.7 0.286 . . . . 0.0 111.324 -177.027 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1932 ' ' THR . . . . . . . . . . . . . 86.0 m -72.06 -41.53 67.29 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-O 120.819 0.342 . . . . 0.0 110.23 176.462 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1933 ' ' LYS . . . . . . . . . . . . . 73.6 mmtt -65.53 -40.66 93.18 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.444 176.535 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1934 ' ' ALA . . . . . . . . . . . . . . . -60.5 -48.59 81.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.577 177.174 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1935 ' ' GLY . . . . . . . . . . . . . . . -63.8 -30.27 77.2 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.926 -0.654 . . . . 0.0 112.389 178.71 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1936 ' ' ALA . . . . . . . . . . . . . . . -74.46 -46.54 39.09 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.42 0.152 . . . . 0.0 111.018 179.764 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1937 ' ' LEU . . . . . 0.459 ' CD1' ' HA ' ' A' 1941 ' ' PRO . 30.6 tp -68.17 -28.92 67.7 Favored 'General case' 0 CA--C 1.518 -0.278 0 CA-C-O 121.369 0.604 . . . . 0.0 110.189 179.82 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1938 ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -64.8 -27.85 69.16 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.325 -0.852 . . . . 0.0 109.618 178.138 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1939 ' ' CYS . . . . . . . . . . . . . 58.7 m -86.22 -44.41 12.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.466 176.256 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1940 ' ' SER . . . . . . . . . . . . . 74.5 m -129.09 93.13 37.39 Favored Pre-proline 0 C--N 1.327 -0.41 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.275 -179.882 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1941 ' ' PRO . . . . . 0.459 ' HA ' ' CD1' ' A' 1937 ' ' LEU . 83.2 Cg_endo -84.68 -8.69 9.28 Favored 'Trans proline' 0 CA--C 1.53 0.32 0 C-N-CA 122.896 2.397 . . . . 0.0 113.641 -177.282 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1942 ' ' SER . . . . . . . . . . . . . 38.6 m -86.83 -13.88 43.74 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.914 0.387 . . . . 0.0 111.196 -176.687 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1943 ' ' ASP . . . . . . . . . . . . . 14.8 t70 -86.27 114.63 23.24 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.942 -0.572 . . . . 0.0 109.615 177.484 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1944 ' ' VAL . . . . . . . . . . . . . 3.7 p -72.59 -29.2 29.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.875 -174.166 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1945 ' ' TYR . . . . . . . . . . . . . 92.9 m-85 -66.03 -37.28 85.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.13 0.491 . . . . 0.0 110.411 -178.85 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1946 ' ' THR . . . . . . . . . . . . . 31.6 m -64.64 -41.53 96.07 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.095 175.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1947 ' ' LYS . . . . . 0.403 ' HB3' ' HE2' ' A' 1947 ' ' LYS . 34.2 ttpt -70.92 -44.89 65.22 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.868 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1948 ' ' LYS . . . . . 0.473 ' HE2' ' HA ' ' A' 1948 ' ' LYS . 6.2 mmpt? -53.14 -53.7 46.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.149 -177.493 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1949 ' ' GLU . . . . . . . . . . . . . 62.7 mm-40 -59.94 -29.57 68.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.89 -178.264 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1950 ' ' LEU . . . . . 0.417 HD11 HD22 ' A' 1882 ' ' LEU . 6.3 tt -64.69 -55.27 21.1 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.426 -0.583 . . . . 0.0 109.426 178.329 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1951 ' ' ILE . . . . . 0.551 HG13 ' HB ' ' A' 1872 ' ' VAL . 2.2 mp -63.23 -46.46 95.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.588 179.816 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1952 ' ' GLU . . . . . 0.466 ' O ' ' HG3' ' A' 1956 ' ' ARG . 52.4 mt-10 -64.04 -25.79 68.27 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.593 -177.599 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1953 ' ' CYS . . . . . . . . . . . . . 20.2 t -80.75 -40.4 25.25 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.834 0.349 . . . . 0.0 110.367 178.157 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1954 ' ' ALA . . . . . . . . . . . . . . . -63.71 -39.26 93.86 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.682 -178.087 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1955 ' ' ARG . . . . . 0.417 ' HA ' ' OG ' ' A' 1958 ' ' SER . 0.0 OUTLIER -70.79 -22.91 62.31 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.694 0.283 . . . . 0.0 110.964 179.073 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A 1956 ' ' ARG . . . . . 0.546 ' O ' ' HG2' ' A' 1960 ' ' LYS . 81.7 mtp180 -75.74 -41.23 53.9 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.58 -0.282 . . . . 0.0 110.572 176.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1957 ' ' VAL . . . . . 0.494 ' O ' HG12 ' A' 1961 ' ' VAL . 12.3 m -78.02 -22.97 13.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 C-N-CA 120.96 -0.296 . . . . 0.0 111.474 -177.341 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1958 ' ' SER . . . . . 0.522 ' O ' HG21 ' A' 1961 ' ' VAL . 1.3 p -69.61 -26.94 64.68 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 111.61 0.226 . . . . 0.0 111.61 -177.831 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1959 ' ' GLU . . . . . 0.409 ' HG2' ' O ' ' A' 1956 ' ' ARG . 12.6 pt-20 -80.94 -26.62 36.54 Favored 'General case' 0 C--N 1.331 -0.218 0 C-N-CA 120.195 -0.602 . . . . 0.0 109.801 172.823 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1960 ' ' LYS . . . . . 0.546 ' HG2' ' O ' ' A' 1956 ' ' ARG . 12.5 mmmm -71.04 -35.98 72.19 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.478 -179.701 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1961 ' ' VAL . . . . . 0.727 HG22 ' HB1' ' A' 1865 ' ' ALA . 5.9 m -66.01 -33.49 63.92 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.168 0 CA-C-O 120.952 0.406 . . . . 0.0 109.943 176.054 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1962 ' ' SER . . . . . 0.594 ' HA ' HD13 ' A' 1965 ' ' LEU . 42.2 t -65.92 -27.1 67.93 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 121.354 0.597 . . . . 0.0 109.962 176.794 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1963 ' ' HIS . . . . . . . . . . . . . 62.6 m170 -79.76 -23.96 41.87 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.872 -0.603 . . . . 0.0 110.284 -179.038 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1964 ' ' VAL . . . . . 0.631 HG12 HD13 ' A' 1896 ' ' LEU . 97.8 t -66.5 -46.84 85.46 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.2 0 N-CA-C 108.368 -0.975 . . . . 0.0 108.368 168.171 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1965 ' ' LEU . . . . . 0.594 HD13 ' HA ' ' A' 1962 ' ' SER . 51.1 mt -52.87 -47.57 67.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.135 -0.939 . . . . 0.0 110.391 177.656 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1966 ' ' ALA . . . . . . . . . . . . . . . -68.86 -43.67 74.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.887 -179.243 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1967 ' ' ALA . . . . . . . . . . . . . . . -57.46 -42.49 82.65 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-O 121.006 0.431 . . . . 0.0 111.071 -179.07 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1968 ' ' LEU . . . . . 0.957 ' HB3' ' HG3' ' A' 1854 ' ' GLN . 4.3 mm? -73.42 -41.15 63.63 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.882 179.015 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1969 ' ' GLN . . . . . . . . . . . . . 46.5 mt-30 -72.92 -3.58 26.7 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 111.704 0.261 . . . . 0.0 111.704 -178.645 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1970 ' ' ALA . . . . . . . . . . . . . . . -66.76 -19.34 65.73 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.107 0.48 . . . . 0.0 110.408 175.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1971 ' ' GLY . . . . . . . . . . . . . . . -82.89 -4.76 89.88 Favored Glycine 0 N--CA 1.449 -0.437 0 CA-C-N 115.737 -0.665 . . . . 0.0 112.328 177.433 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1972 ' ' ASN . . . . . . . . . . . . . 18.5 m120 -89.19 150.24 22.76 Favored 'General case' 0 CA--C 1.517 -0.315 0 CA-C-O 120.842 0.353 . . . . 0.0 110.799 179.314 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1973 ' ' ARG . . . . . . . . . . . . . 55.8 ttt180 . . . . . 0 C--O 1.246 0.903 0 CA-C-N 115.451 -0.795 . . . . 0.0 109.232 178.286 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A 1837 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.734 0 N-CA-C 112.446 -0.262 . . . . 0.0 112.446 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A 1838 ' ' ILE . . . . . 0.724 HD12 ' H ' ' A' 1839 ' ' ASP . 0.4 OUTLIER -108.03 148.51 12.07 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 N-CA-C 109.215 -0.661 . . . . 0.0 109.215 177.195 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A 1839 ' ' ASP . . . . . 0.724 ' H ' HD12 ' A' 1838 ' ' ILE . 0.6 OUTLIER -86.79 144.22 36.73 Favored Pre-proline 0 C--N 1.322 -0.614 0 N-CA-C 109.911 -0.403 . . . . 0.0 109.911 -178.007 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A 1840 ' ' PRO . . . . . 0.424 ' HD2' ' CG ' ' A' 1839 ' ' ASP . 18.8 Cg_endo -62.81 -15.83 49.61 Favored 'Trans proline' 0 C--O 1.234 0.305 0 C-N-CA 123.157 2.571 . . . . 0.0 112.844 -178.16 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1841 ' ' PHE . . . . . . . . . . . . . 45.6 p90 -146.28 -177.21 5.5 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.203 -0.453 . . . . 0.0 109.872 175.362 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1842 ' ' THR . . . . . 0.587 ' OG1' ' HA ' ' A' 1846 ' ' PRO . 34.1 p -126.9 154.8 43.97 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.381 -174.653 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1843 ' ' MET . . . . . . . . . . . . . 1.2 pmm? -86.86 159.54 19.03 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.427 -179.028 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1844 ' ' GLY . . . . . . . . . . . . . . . 82.14 -82.66 1.59 Allowed Glycine 0 N--CA 1.449 -0.484 0 N-CA-C 110.644 -0.982 . . . . 0.0 110.644 -175.663 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1845 ' ' ASP . . . . . 0.417 ' HA ' ' HD3' ' A' 1846 ' ' PRO . 3.3 t70 -133.04 129.03 20.86 Favored Pre-proline 0 C--N 1.323 -0.578 0 N-CA-C 108.702 -0.851 . . . . 0.0 108.702 172.758 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1846 ' ' PRO . . . . . 0.587 ' HA ' ' OG1' ' A' 1842 ' ' THR . 95.7 Cg_endo -92.6 89.74 0.19 Allowed 'Trans proline' 0 N--CA 1.45 -1.069 0 C-N-CA 123.549 2.833 . . . . 0.0 113.384 -174.447 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1847 ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -88.95 -18.24 27.86 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.364 0.602 . . . . 0.0 109.394 172.735 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1848 ' ' GLY . . . . . . . . . . . . . . . 71.93 -142.04 32.65 Favored Glycine 0 N--CA 1.449 -0.47 0 CA-C-N 115.211 -0.904 . . . . 0.0 113.443 172.567 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1849 ' ' SER . . . . . . . . . . . . . 12.5 p -78.88 8.85 4.87 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 112.093 0.405 . . . . 0.0 112.093 -175.518 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1850 ' ' PHE . . . . . 0.4 ' CZ ' HG23 ' A' 1912 ' ' ILE . 87.2 t80 -59.53 -23.94 63.26 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.196 0.522 . . . . 0.0 110.157 175.919 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1851 ' ' VAL . . . . . . . . . . . . . 23.6 m -60.09 -31.24 47.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.183 178.701 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1852 ' ' ASP . . . . . . . . . . . . . 20.4 t70 -74.08 -45.82 46.87 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.187 0.518 . . . . 0.0 110.008 -179.733 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1853 ' ' TYR . . . . . 0.544 ' CE1' ' HB2' ' A' 1902 ' ' PRO . 59.7 m-85 -69.56 -24.1 63.66 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.452 -0.794 . . . . 0.0 110.58 -179.765 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1854 ' ' GLN . . . . . 0.937 ' HG3' ' HB3' ' A' 1968 ' ' LEU . 6.2 tt0 -73.4 -55.45 6.36 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.289 174.13 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1855 ' ' THR . . . . . . . . . . . . . 39.4 m -59.01 -38.71 79.86 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.03 -0.532 . . . . 0.0 112.046 -175.878 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1856 ' ' THR . . . . . 0.489 HG21 ' N ' ' A' 1857 ' ' MET . 9.7 t -58.62 -50.45 73.77 Favored 'General case' 0 CA--C 1.537 0.449 0 N-CA-C 111.872 0.323 . . . . 0.0 111.872 -176.342 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1857 ' ' MET . . . . . 0.604 ' SD ' HD21 ' A' 1968 ' ' LEU . 6.4 ptp -81.8 -31.11 31.95 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 112.156 0.428 . . . . 0.0 112.156 -174.833 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1858 ' ' VAL . . . . . 0.467 HG12 ' O ' ' A' 1854 ' ' GLN . 23.4 m -66.78 -36.34 76.96 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.178 0 C-N-CA 119.938 -0.705 . . . . 0.0 110.181 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1859 ' ' ARG . . . . . 0.529 ' HA ' ' HD2' ' A' 1862 ' ' LYS . 6.3 mpt_? -62.22 -42.38 99.25 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-O 121.254 0.55 . . . . 0.0 110.169 172.572 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1860 ' ' THR . . . . . . . . . . . . . 31.6 m -66.93 -40.6 87.66 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.365 -0.834 . . . . 0.0 111.138 -179.042 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1861 ' ' ALA . . . . . . . . . . . . . . . -60.59 -38.61 85.2 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.839 0.352 . . . . 0.0 110.777 178.68 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1862 ' ' LYS . . . . . 0.529 ' HD2' ' HA ' ' A' 1859 ' ' ARG . 40.8 mttm -62.91 -42.65 99.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.28 176.747 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1863 ' ' ALA . . . . . . . . . . . . . . . -66.98 -37.29 83.97 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.774 -179.79 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1864 ' ' ILE . . . . . . . . . . . . . 80.1 mt -64.21 -45.44 96.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.141 175.117 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1865 ' ' ALA . . . . . 0.734 ' HB2' HG22 ' A' 1961 ' ' VAL . . . -59.64 -44.47 93.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.059 -0.519 . . . . 0.0 112.074 -178.768 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1866 ' ' VAL . . . . . 0.621 ' HA ' ' HG2' ' A' 1869 ' ' GLN . 12.5 p -71.59 -33.64 49.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 C-N-CA 120.354 -0.539 . . . . 0.0 110.421 179.3 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1867 ' ' THR . . . . . 0.662 ' O ' ' HG3' ' A' 1871 ' ' MET . 90.0 m -62.68 -51.48 67.07 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.553 0.216 . . . . 0.0 110.472 177.07 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1868 ' ' VAL . . . . . 0.518 ' HA ' ' SD ' ' A' 1871 ' ' MET . 30.6 m -64.17 -31.64 54.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.077 -177.344 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1869 ' ' GLN . . . . . 0.621 ' HG2' ' HA ' ' A' 1866 ' ' VAL . 2.6 pt20 -76.95 -30.22 55.95 Favored 'General case' 0 N--CA 1.453 -0.286 0 C-N-CA 120.485 -0.486 . . . . 0.0 110.174 179.043 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1870 ' ' GLU . . . . . 0.473 ' HG3' ' O ' ' A' 1866 ' ' VAL . 47.6 mt-10 -63.27 -39.0 93.35 Favored 'General case' 0 C--O 1.223 -0.296 0 N-CA-C 109.556 -0.535 . . . . 0.0 109.556 172.404 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1871 ' ' MET . . . . . 0.662 ' HG3' ' O ' ' A' 1867 ' ' THR . 39.2 mtp -59.46 -41.16 89.07 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.813 -179.779 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1872 ' ' VAL . . . . . 1.116 ' HB ' HG13 ' A' 1951 ' ' ILE . 1.5 m -73.99 -28.27 23.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 121.361 0.6 . . . . 0.0 110.596 179.589 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1873 ' ' THR . . . . . . . . . . . . . 38.7 m -77.25 -46.11 24.19 Favored 'General case' 0 N--CA 1.443 -0.818 0 CA-C-N 115.467 -0.788 . . . . 0.0 110.702 -179.352 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1874 ' ' LYS . . . . . 0.463 ' HG3' HD12 ' A' 1885 ' ' LEU . 70.4 mmtt -65.15 -46.26 81.61 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.791 -0.64 . . . . 0.0 111.159 -178.425 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1875 ' ' SER . . . . . 0.622 ' HB3' HD11 ' A' 1882 ' ' LEU . 7.9 p -55.13 -20.03 9.11 Favored 'General case' 0 N--CA 1.467 0.417 0 N-CA-C 113.28 0.844 . . . . 0.0 113.28 -171.705 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1876 ' ' ASN . . . . . . . . . . . . . 93.1 m-20 -66.36 -36.79 83.78 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.746 0.308 . . . . 0.0 111.296 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1877 ' ' THR . . . . . . . . . . . . . 81.2 p -121.24 -31.14 4.17 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.412 0.625 . . . . 0.0 111.322 -179.499 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1878 ' ' SER . . . . . . . . . . . . . 22.7 m -126.01 101.43 29.09 Favored Pre-proline 0 C--N 1.319 -0.734 0 CA-C-N 115.479 -0.782 . . . . 0.0 111.044 -170.801 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1879 ' ' PRO . . . . . 0.674 ' O ' ' HB3' ' A' 1938 ' ' GLN . 64.3 Cg_endo -84.05 -28.03 1.36 Allowed 'Trans proline' 0 N--CA 1.446 -1.28 0 C-N-CA 121.316 1.344 . . . . 0.0 111.738 175.657 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1880 ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -68.43 -29.83 68.57 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.763 178.501 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1881 ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -61.79 -13.91 28.01 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.435 178.308 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1882 ' ' LEU . . . . . 0.702 HD22 HD11 ' A' 1950 ' ' LEU . 0.8 OUTLIER -86.26 -7.13 58.75 Favored 'General case' 0 N--CA 1.438 -1.048 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.492 -175.458 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A 1883 ' ' GLY . . . . . 0.401 ' N ' ' HD2' ' A' 1884 ' ' PRO . . . -66.15 -60.35 6.48 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.677 -0.773 . . . . 0.0 111.844 175.44 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1884 ' ' PRO . . . . . 0.401 ' HD2' ' N ' ' A' 1883 ' ' GLY . 18.5 Cg_endo -60.09 -32.98 95.47 Favored 'Trans proline' 0 C--N 1.348 0.501 0 C-N-CA 122.644 2.23 . . . . 0.0 112.206 176.563 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1885 ' ' LEU . . . . . 0.463 HD12 ' HG3' ' A' 1874 ' ' LYS . 73.1 mt -69.77 -40.06 76.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.654 -179.094 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1886 ' ' ALA . . . . . . . . . . . . . . . -63.43 -44.93 93.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.104 0.478 . . . . 0.0 110.26 177.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1887 ' ' ASN . . . . . . . . . . . . . 58.9 t30 -63.16 -38.33 90.75 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.694 -0.685 . . . . 0.0 110.098 176.504 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1888 ' ' GLN . . . . . 0.41 ' HG3' HG23 ' A' 1867 ' ' THR . 30.9 tp60 -63.19 -48.22 79.26 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.895 179.275 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1889 ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -57.2 -44.53 83.75 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.397 0.618 . . . . 0.0 109.407 177.151 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1890 ' ' THR . . . . . . . . . . . . . 57.2 m -60.52 -47.68 85.09 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.24 -0.891 . . . . 0.0 111.462 -179.264 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1891 ' ' SER . . . . . . . . . . . . . 33.1 m -66.79 -43.78 83.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.694 0.283 . . . . 0.0 111.462 -177.726 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1892 ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -69.05 -40.48 78.51 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.643 -0.253 . . . . 0.0 111.474 -177.168 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1893 ' ' TYR . . . . . . . . . . . . . 51.8 t80 -58.5 -33.27 69.62 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-O 120.908 0.385 . . . . 0.0 110.558 176.351 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1894 ' ' GLY . . . . . . . . . . . . . . . -59.6 -30.26 68.41 Favored Glycine 0 N--CA 1.45 -0.43 0 C-N-CA 121.097 -0.573 . . . . 0.0 112.171 178.639 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1895 ' ' ARG . . . . . 0.401 ' NH2' ' HG1' ' A' 1856 ' ' THR . 35.7 ttt180 -78.43 -39.67 38.1 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.042 0.449 . . . . 0.0 110.31 178.282 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1896 ' ' LEU . . . . . 0.403 HD12 ' HB2' ' A' 1857 ' ' MET . 59.5 tp -61.42 -49.15 78.02 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.891 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1897 ' ' ALA . . . . . . . . . . . . . . . -69.95 -25.05 63.46 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.782 -176.099 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1898 ' ' SER . . . . . . . . . . . . . 11.3 p -82.1 -46.44 13.85 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.918 0.39 . . . . 0.0 110.162 -176.827 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1899 ' ' GLN . . . . . . . . . . . . . 15.2 mm100 -70.56 -11.6 61.03 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.897 179.671 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1900 ' ' ALA . . . . . . . . . . . . . . . -67.74 -28.56 67.74 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.864 176.68 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1901 ' ' LYS . . . . . 0.418 ' HB3' ' CD ' ' A' 1902 ' ' PRO . 22.3 tptm -71.92 -57.69 3.84 Favored Pre-proline 0 CA--C 1.537 0.466 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.362 -177.69 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1902 ' ' PRO . . . . . 0.544 ' HB2' ' CE1' ' A' 1853 ' ' TYR . 29.9 Cg_endo -64.08 -24.38 66.53 Favored 'Trans proline' 0 C--N 1.356 0.932 0 C-N-CA 121.774 1.649 . . . . 0.0 112.164 178.097 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1903 ' ' ALA . . . . . . . . . . . . . . . -71.18 -38.2 72.14 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.884 0.373 . . . . 0.0 110.77 177.117 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1904 ' ' ALA . . . . . . . . . . . . . . . -75.21 -31.35 60.86 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.839 -176.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1905 ' ' VAL . . . . . 0.509 HG23 ' HA ' ' A' 1902 ' ' PRO . 22.7 m -84.71 -17.99 9.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.506 -178.225 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1906 ' ' ALA . . . . . . . . . . . . . . . -102.62 0.35 33.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.614 0.245 . . . . 0.0 110.687 177.424 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1907 ' ' ALA . . . . . . . . . . . . . . . -64.78 135.93 56.34 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.571 179.516 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1908 ' ' GLU . . . . . 0.526 ' OE1' HD11 ' A' 1912 ' ' ILE . 0.0 OUTLIER -89.35 -29.14 19.34 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 121.081 0.467 . . . . 0.0 110.889 -177.252 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A 1909 ' ' ASN . . . . . 0.538 ' ND2' ' HA2' ' A' 1971 ' ' GLY . 32.2 m-80 -97.63 166.36 11.54 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.201 0.524 . . . . 0.0 111.524 179.047 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1910 ' ' GLU . . . . . . . . . . . . . 12.1 tp10 -72.42 -53.88 10.94 Favored 'General case' 0 CA--C 1.513 -0.472 0 CA-C-N 115.423 -0.808 . . . . 0.0 110.551 -179.704 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1911 ' ' GLU . . . . . 0.477 ' HB3' ' CD2' ' A' 1915 ' ' HIS . 1.8 mt-10 -72.69 -33.91 66.81 Favored 'General case' 0 N--CA 1.442 -0.827 0 CA-C-N 114.782 -1.099 . . . . 0.0 112.174 -169.414 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1912 ' ' ILE . . . . . 0.579 ' O ' HG13 ' A' 1916 ' ' ILE . 48.7 mt -57.1 -53.71 39.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 C-N-CA 120.702 -0.399 . . . . 0.0 110.66 -178.148 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1913 ' ' GLY . . . . . . . . . . . . . . . -62.08 -32.33 81.93 Favored Glycine 0 N--CA 1.453 -0.227 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.241 179.596 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1914 ' ' ALA . . . . . . . . . . . . . . . -73.55 -44.23 57.97 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.931 0.395 . . . . 0.0 110.757 179.451 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1915 ' ' HIS . . . . . 0.487 ' O ' ' HG2' ' A' 1919 ' ' ARG . 78.3 m-70 -68.02 -37.86 81.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.355 -177.256 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1916 ' ' ILE . . . . . 0.579 HG13 ' O ' ' A' 1912 ' ' ILE . 89.2 mt -51.41 -58.06 2.51 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.161 0 O-C-N 123.363 0.414 . . . . 0.0 111.272 179.823 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1917 ' ' LYS . . . . . . . . . . . . . 52.7 mtmt -69.37 -24.22 63.85 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.505 -176.255 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1918 ' ' HIS . . . . . 0.411 ' O ' ' HG3' ' A' 1922 ' ' GLU . 13.0 m-70 -69.35 -52.76 24.04 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.744 0.307 . . . . 0.0 110.83 175.04 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1919 ' ' ARG . . . . . 0.487 ' HG2' ' O ' ' A' 1915 ' ' HIS . 26.3 mmt180 -68.76 -39.06 80.44 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.099 -0.501 . . . . 0.0 112.033 -171.872 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1920 ' ' VAL . . . . . . . . . . . . . 30.6 m -64.75 -29.2 46.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.924 0.392 . . . . 0.0 110.494 179.078 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1921 ' ' GLN . . . . . . . . . . . . . 5.7 tt0 -71.28 -42.77 68.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.309 0.576 . . . . 0.0 110.488 178.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1922 ' ' GLU . . . . . 0.411 ' HG3' ' O ' ' A' 1918 ' ' HIS . 37.7 mt-10 -72.34 -31.33 65.54 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.708 0.766 . . . . 0.0 108.996 -176.551 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1923 ' ' LEU . . . . . 0.602 ' HG ' ' HB3' ' A' 1960 ' ' LYS . 0.7 OUTLIER -69.61 -47.66 62.7 Favored 'General case' 0 N--CA 1.446 -0.635 0 CA-C-N 114.667 -1.151 . . . . 0.0 109.781 176.679 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A 1924 ' ' GLY . . . . . . . . . . . . . . . -61.01 -39.93 97.77 Favored Glycine 0 N--CA 1.451 -0.336 0 CA-C-N 115.785 -0.643 . . . . 0.0 113.326 -177.714 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1925 ' ' HIS . . . . . . . . . . . . . 29.6 m170 -62.43 -31.35 72.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.862 0.363 . . . . 0.0 110.816 178.555 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1926 ' ' GLY . . . . . 0.509 ' HA3' HG11 ' A' 1957 ' ' VAL . . . -77.01 -34.68 41.29 Favored Glycine 0 N--CA 1.448 -0.504 0 C-N-CA 120.543 -0.837 . . . . 0.0 111.633 175.187 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1927 ' ' CYS . . . . . . . . . . . . . 64.0 m -63.81 -47.37 81.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.729 0.3 . . . . 0.0 110.683 178.534 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1928 ' ' SER . . . . . . . . . . . . . 5.5 p -60.96 -37.32 81.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.063 -178.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1929 ' ' ALA . . . . . . . . . . . . . . . -69.13 -42.89 75.42 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.046 0.451 . . . . 0.0 110.54 176.47 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1930 ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -63.45 -49.63 72.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.276 -177.593 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1931 ' ' VAL . . . . . . . . . . . . . 27.8 m -61.95 -27.13 41.75 Favored 'Isoleucine or valine' 0 C--O 1.234 0.282 0 CA-C-O 120.822 0.344 . . . . 0.0 111.22 -178.096 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1932 ' ' THR . . . . . . . . . . . . . 55.7 m -70.96 -46.31 62.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.456 176.362 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1933 ' ' LYS . . . . . . . . . . . . . 33.7 mmtp -71.64 -30.72 66.07 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.363 -0.381 . . . . 0.0 111.224 -178.391 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1934 ' ' ALA . . . . . . . . . . . . . . . -59.46 -53.61 56.11 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.99 0.424 . . . . 0.0 111.372 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1935 ' ' GLY . . . . . . . . . . . . . . . -70.74 -25.17 76.19 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 121.149 -0.548 . . . . 0.0 112.039 178.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1936 ' ' ALA . . . . . . . . . . . . . . . -75.0 -39.02 61.44 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.668 0.27 . . . . 0.0 110.747 179.393 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1937 ' ' LEU . . . . . . . . . . . . . 61.2 tp -66.01 -37.82 86.89 Favored 'General case' 0 CA--C 1.517 -0.317 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.066 -179.748 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1938 ' ' GLN . . . . . 0.674 ' HB3' ' O ' ' A' 1879 ' ' PRO . 3.1 pt20 -73.66 -25.08 60.09 Favored 'General case' 0 C--N 1.322 -0.589 0 C-N-CA 119.782 -0.767 . . . . 0.0 110.526 178.021 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1939 ' ' CYS . . . . . . . . . . . . . 16.6 t -82.39 -11.43 58.56 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.152 0.501 . . . . 0.0 110.228 176.046 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1940 ' ' SER . . . . . . . . . . . . . 48.2 m -146.73 71.83 12.59 Favored Pre-proline 0 C--N 1.326 -0.436 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.675 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1941 ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -77.26 -6.41 16.45 Favored 'Trans proline' 0 C--N 1.344 0.328 0 C-N-CA 122.508 2.138 . . . . 0.0 112.842 -174.597 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1942 ' ' SER . . . . . . . . . . . . . 33.3 t -91.99 2.18 56.71 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.939 0.399 . . . . 0.0 110.447 -179.35 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1943 ' ' ASP . . . . . . . . . . . . . 17.3 t70 -109.14 106.36 16.21 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.307 179.63 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1944 ' ' VAL . . . . . 0.464 ' O ' ' HG2' ' A' 1948 ' ' LYS . 10.8 p -71.93 -25.9 24.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.895 -176.752 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1945 ' ' TYR . . . . . . . . . . . . . 89.7 m-85 -68.58 -38.05 80.38 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.733 -176.568 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1946 ' ' THR . . . . . . . . . . . . . 92.1 m -59.28 -38.22 79.62 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.352 174.589 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1947 ' ' LYS . . . . . 0.476 ' HG3' ' HB2' ' A' 1875 ' ' SER . 15.1 ttpp -68.65 -43.55 76.03 Favored 'General case' 0 N--CA 1.453 -0.283 0 CA-C-N 116.079 -0.509 . . . . 0.0 109.829 176.863 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1948 ' ' LYS . . . . . 0.577 ' O ' ' HG2' ' A' 1952 ' ' GLU . 7.7 mmpt? -53.9 -53.05 58.07 Favored 'General case' 0 C--N 1.332 -0.152 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.535 -179.79 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1949 ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -57.86 -37.67 74.32 Favored 'General case' 0 N--CA 1.464 0.26 0 O-C-N 123.47 0.481 . . . . 0.0 111.179 -179.018 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1950 ' ' LEU . . . . . 0.702 HD11 HD22 ' A' 1882 ' ' LEU . 7.7 tt -60.53 -49.69 76.52 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.529 -178.025 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1951 ' ' ILE . . . . . 1.116 HG13 ' HB ' ' A' 1872 ' ' VAL . 2.0 mp -64.31 -41.43 92.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.301 177.512 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1952 ' ' GLU . . . . . 0.577 ' HG2' ' O ' ' A' 1948 ' ' LYS . 32.1 mm-40 -62.38 -36.59 82.76 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.057 -179.027 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1953 ' ' CYS . . . . . . . . . . . . . 36.3 t -75.43 -42.9 52.31 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.524 -0.307 . . . . 0.0 111.005 -178.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1954 ' ' ALA . . . . . . . . . . . . . . . -61.04 -39.72 90.9 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.71 -176.552 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1955 ' ' ARG . . . . . 0.531 ' HE ' ' HA ' ' A' 1952 ' ' GLU . 8.9 ptp180 -63.06 -30.91 71.97 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.842 0.353 . . . . 0.0 110.497 -179.896 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1956 ' ' ARG . . . . . 0.486 ' HG3' ' O ' ' A' 1952 ' ' GLU . 81.2 mtp180 -80.0 -37.08 34.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.368 -175.69 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1957 ' ' VAL . . . . . 0.509 HG11 ' HA3' ' A' 1926 ' ' GLY . 10.5 m -71.8 -29.69 34.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 C-N-CA 120.586 -0.446 . . . . 0.0 110.138 179.394 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1958 ' ' SER . . . . . 0.704 ' O ' HG21 ' A' 1961 ' ' VAL . 39.4 t -66.81 -24.08 66.13 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.318 177.689 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1959 ' ' GLU . . . . . 0.44 ' OE1' ' HA ' ' A' 1956 ' ' ARG . 42.4 mt-10 -68.0 -41.14 82.7 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.427 -0.583 . . . . 0.0 109.427 173.632 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1960 ' ' LYS . . . . . 0.602 ' HB3' ' HG ' ' A' 1923 ' ' LEU . 1.5 mppt? -66.48 -32.31 73.59 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.512 -0.767 . . . . 0.0 111.288 -179.502 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1961 ' ' VAL . . . . . 0.734 HG22 ' HB2' ' A' 1865 ' ' ALA . 2.3 m -63.38 -35.01 70.62 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.142 0 CA-C-O 120.992 0.425 . . . . 0.0 109.882 178.596 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1962 ' ' SER . . . . . 0.488 ' HA ' HD12 ' A' 1965 ' ' LEU . 10.4 t -76.85 -26.87 54.78 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-N 116.018 -0.537 . . . . 0.0 109.709 179.123 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1963 ' ' HIS . . . . . . . . . . . . . 66.6 m170 -72.94 -30.0 63.53 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.042 178.881 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1964 ' ' VAL . . . . . 0.607 ' O ' HD22 ' A' 1968 ' ' LEU . 64.3 t -67.53 -47.59 79.92 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.201 0 N-CA-C 109.119 -0.697 . . . . 0.0 109.119 171.169 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1965 ' ' LEU . . . . . 0.56 ' HG ' ' O ' ' A' 1961 ' ' VAL . 84.5 mt -53.29 -54.76 31.69 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.949 179.436 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1966 ' ' ALA . . . . . . . . . . . . . . . -62.48 -33.63 75.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.91 -177.516 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1967 ' ' ALA . . . . . . . . . . . . . . . -66.53 -45.49 79.29 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.198 -178.855 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1968 ' ' LEU . . . . . 0.937 ' HB3' ' HG3' ' A' 1854 ' ' GLN . 3.8 mm? -73.1 -30.77 63.89 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.896 -178.426 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1969 ' ' GLN . . . . . . . . . . . . . 73.8 mt-30 -79.92 13.75 2.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.969 -175.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1970 ' ' ALA . . . . . . . . . . . . . . . -90.36 -169.98 2.59 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.527 -0.306 . . . . 0.0 110.383 177.437 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1971 ' ' GLY . . . . . 0.538 ' HA2' ' ND2' ' A' 1909 ' ' ASN . . . 112.12 -128.08 8.38 Favored Glycine 0 N--CA 1.447 -0.572 0 C-N-CA 120.764 -0.732 . . . . 0.0 111.945 179.46 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1972 ' ' ASN . . . . . . . . . . . . . 10.8 p30 -87.45 -3.03 59.01 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.15 0.5 . . . . 0.0 110.114 178.795 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1973 ' ' ARG . . . . . . . . . . . . . 41.5 ttt180 . . . . . 0 C--O 1.246 0.894 0 CA-C-O 118.284 -0.865 . . . . 0.0 109.57 175.607 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A 1837 ' ' GLY . . . . . 0.421 ' C ' HG21 ' A' 1838 ' ' ILE . . . . . . . . 0 N--CA 1.48 1.579 0 N-CA-C 111.801 -0.519 . . . . 0.0 111.801 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1838 ' ' ILE . . . . . 0.421 HG21 ' C ' ' A' 1837 ' ' GLY . 10.0 tt 46.39 -81.53 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.475 0.816 0 C-N-CA 124.861 1.264 . . . . 0.0 113.656 -179.033 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1839 ' ' ASP . . . . . 0.491 ' HB3' ' HD1' ' A' 1841 ' ' PHE . 16.1 t70 -171.58 132.79 0.82 Allowed Pre-proline 0 C--N 1.319 -0.727 0 N-CA-C 109.147 -0.686 . . . . 0.0 109.147 -175.262 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1840 ' ' PRO . . . . . . . . . . . . . 83.8 Cg_endo -79.83 38.69 0.76 Allowed 'Trans proline' 0 C--O 1.234 0.28 0 C-N-CA 122.928 2.418 . . . . 0.0 113.546 -177.028 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1841 ' ' PHE . . . . . 0.491 ' HD1' ' HB3' ' A' 1839 ' ' ASP . 47.9 p90 -81.54 173.62 12.21 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.084 0.469 . . . . 0.0 110.802 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1842 ' ' THR . . . . . . . . . . . . . 5.7 t -118.65 144.49 46.14 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.838 175.81 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1843 ' ' MET . . . . . . . . . . . . . 22.8 ptp -65.9 -31.74 72.85 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.236 -179.445 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1844 ' ' GLY . . . . . . . . . . . . . . . 55.92 -113.6 4.13 Favored Glycine 0 C--N 1.332 0.308 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.026 -178.033 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1845 ' ' ASP . . . . . . . . . . . . . 15.0 m-20 -113.47 115.34 47.09 Favored Pre-proline 0 C--N 1.325 -0.497 0 N-CA-C 109.989 -0.374 . . . . 0.0 109.989 175.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1846 ' ' PRO . . . . . 0.523 ' O ' ' HA ' ' A' 1906 ' ' ALA . 7.9 Cg_exo -72.14 -69.46 0.02 OUTLIER 'Trans proline' 0 N--CA 1.461 -0.387 0 C-N-CA 122.683 2.255 . . . . 0.0 111.888 179.244 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1847 ' ' GLU . . . . . 0.574 ' HB3' ' HA ' ' A' 1908 ' ' GLU . 9.2 pt-20 -78.4 -179.85 6.57 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.186 -177.616 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1848 ' ' GLY . . . . . . . . . . . . . . . 104.44 -66.07 0.31 Allowed Glycine 0 N--CA 1.449 -0.494 0 C-N-CA 120.832 -0.699 . . . . 0.0 111.729 -176.625 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1849 ' ' SER . . . . . . . . . . . . . 17.8 m -75.17 -4.44 38.83 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.899 0.38 . . . . 0.0 110.961 178.423 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1850 ' ' PHE . . . . . 0.531 ' HB2' ' O ' ' A' 1906 ' ' ALA . 76.4 t80 -55.83 -29.79 60.36 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.987 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1851 ' ' VAL . . . . . . . . . . . . . 6.2 m -57.69 -32.8 43.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.302 -178.718 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1852 ' ' ASP . . . . . . . . . . . . . 21.8 t70 -76.33 -48.87 18.51 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.5 -178.314 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1853 ' ' TYR . . . . . 0.441 ' CE1' ' HB2' ' A' 1902 ' ' PRO . 56.4 m-85 -66.81 -33.54 75.83 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.593 -178.816 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1854 ' ' GLN . . . . . 0.541 ' HA ' HD13 ' A' 1968 ' ' LEU . 29.5 tt0 -58.63 -59.86 4.73 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.159 173.499 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1855 ' ' THR . . . . . 0.571 ' O ' ' HG2' ' A' 1859 ' ' ARG . 25.3 m -62.51 -37.88 87.76 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.528 -0.76 . . . . 0.0 112.126 -173.678 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1856 ' ' THR . . . . . 0.504 HG22 ' N ' ' A' 1857 ' ' MET . 14.5 t -66.16 -49.53 67.08 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 111.923 0.342 . . . . 0.0 111.923 -174.358 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1857 ' ' MET . . . . . 0.649 ' HB2' HD12 ' A' 1896 ' ' LEU . 1.1 ptp -82.35 -22.77 35.38 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 120.594 -0.443 . . . . 0.0 111.567 -171.759 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1858 ' ' VAL . . . . . . . . . . . . . 34.2 m -70.76 -30.41 41.89 Favored 'Isoleucine or valine' 0 CA--C 1.523 -0.062 0 C-N-CA 120.001 -0.679 . . . . 0.0 109.818 175.591 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1859 ' ' ARG . . . . . 0.571 ' HG2' ' O ' ' A' 1855 ' ' THR . 38.7 mmt180 -61.72 -44.12 97.54 Favored 'General case' 0 CA--C 1.516 -0.332 0 N-CA-C 109.122 -0.696 . . . . 0.0 109.122 172.122 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1860 ' ' THR . . . . . 0.425 ' O ' HG13 ' A' 1864 ' ' ILE . 5.7 m -62.52 -41.43 98.85 Favored 'General case' 0 N--CA 1.449 -0.515 0 CA-C-N 115.15 -0.932 . . . . 0.0 110.843 -179.836 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1861 ' ' ALA . . . . . . . . . . . . . . . -62.41 -46.05 90.32 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.895 0.379 . . . . 0.0 110.82 178.621 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1862 ' ' LYS . . . . . 0.407 ' HE2' HD21 ' A' 1965 ' ' LEU . 46.4 mttm -64.53 -36.07 83.02 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.508 177.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1863 ' ' ALA . . . . . . . . . . . . . . . -70.45 -37.1 74.27 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.807 178.616 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1864 ' ' ILE . . . . . 0.624 ' O ' HG13 ' A' 1868 ' ' VAL . 63.7 mt -65.66 -42.18 92.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 N-CA-C 110.134 -0.321 . . . . 0.0 110.134 175.148 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1865 ' ' ALA . . . . . 0.714 ' HB2' HG21 ' A' 1961 ' ' VAL . . . -54.69 -48.94 71.81 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.757 -179.073 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1866 ' ' VAL . . . . . . . . . . . . . 10.3 p -64.85 -34.15 68.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 C-N-CA 120.71 -0.396 . . . . 0.0 110.744 -179.621 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1867 ' ' THR . . . . . 0.485 ' O ' ' HG3' ' A' 1871 ' ' MET . 11.9 m -66.18 -49.49 67.17 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.81 -0.177 . . . . 0.0 110.867 178.602 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1868 ' ' VAL . . . . . 0.624 HG13 ' O ' ' A' 1864 ' ' ILE . 3.1 m -65.2 -32.77 59.73 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.287 0 CA-C-O 121.488 0.661 . . . . 0.0 110.554 -178.616 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1869 ' ' GLN . . . . . . . . . . . . . 5.5 tp-100 -77.63 -34.91 53.14 Favored 'General case' 0 N--CA 1.427 -1.576 0 CA-C-N 115.278 -0.874 . . . . 0.0 110.261 -177.849 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1870 ' ' GLU . . . . . . . . . . . . . 32.5 mm-40 -71.97 -31.09 65.94 Favored 'General case' 0 C--O 1.22 -0.472 0 CA-C-N 116.544 -0.298 . . . . 0.0 110.816 172.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1871 ' ' MET . . . . . 0.485 ' HG3' ' O ' ' A' 1867 ' ' THR . 7.6 mtt -55.23 -48.99 73.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.699 0.285 . . . . 0.0 110.926 177.268 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1872 ' ' VAL . . . . . 0.462 ' CG1' ' HA ' ' A' 1951 ' ' ILE . 32.9 m -72.88 -28.96 28.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.98 0.419 . . . . 0.0 111.092 179.809 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1873 ' ' THR . . . . . . . . . . . . . 85.6 m -71.17 -43.64 67.08 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.574 177.454 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1874 ' ' LYS . . . . . . . . . . . . . 75.2 mmtt -71.04 -47.51 58.16 Favored 'General case' 0 C--O 1.22 -0.469 0 CA-C-N 116.044 -0.526 . . . . 0.0 111.142 -178.783 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1875 ' ' SER . . . . . 0.524 ' HB3' HD11 ' A' 1882 ' ' LEU . 11.2 p -54.68 -22.08 12.67 Favored 'General case' 0 N--CA 1.466 0.341 0 N-CA-C 113.006 0.743 . . . . 0.0 113.006 -172.638 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1876 ' ' ASN . . . . . . . . . . . . . 94.0 m-20 -70.56 -23.55 62.63 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 111.8 0.296 . . . . 0.0 111.8 -179.781 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1877 ' ' THR . . . . . . . . . . . . . 46.9 p -132.38 -25.8 1.92 Allowed 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 112.317 0.488 . . . . 0.0 112.317 179.571 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1878 ' ' SER . . . . . . . . . . . . . 25.9 m -136.75 107.29 9.04 Favored Pre-proline 0 C--N 1.321 -0.655 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.56 -169.86 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1879 ' ' PRO . . . . . 0.914 ' HG3' ' HB3' ' A' 1941 ' ' PRO . 26.1 Cg_endo -90.39 -7.79 4.07 Favored 'Trans proline' 0 N--CA 1.446 -1.299 0 C-N-CA 122.145 1.897 . . . . 0.0 111.72 172.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1880 ' ' GLU . . . . . . . . . . . . . 28.2 mm-40 -78.35 -36.06 46.67 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.67 179.343 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1881 ' ' GLU . . . . . . . . . . . . . 49.0 mm-40 -67.37 -14.86 63.31 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-O 121.247 0.546 . . . . 0.0 110.827 -179.524 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1882 ' ' LEU . . . . . 0.747 HD13 ' HA ' ' A' 1879 ' ' PRO . 1.1 mt -79.41 -10.66 59.85 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.668 -0.697 . . . . 0.0 112.298 -174.41 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1883 ' ' GLY . . . . . . . . . . . . . . . -65.75 -61.57 5.48 Favored Glycine 0 N--CA 1.453 -0.214 0 C-N-CA 120.43 -0.891 . . . . 0.0 112.131 176.522 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1884 ' ' PRO . . . . . 0.418 ' O ' ' HB2' ' A' 1888 ' ' GLN . 14.0 Cg_endo -59.01 -38.7 86.38 Favored 'Trans proline' 0 N--CA 1.462 -0.351 0 C-N-CA 122.413 2.075 . . . . 0.0 112.095 175.831 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1885 ' ' LEU . . . . . . . . . . . . . 81.0 mt -61.71 -43.69 98.36 Favored 'General case' 0 N--CA 1.463 0.2 0 N-CA-C 111.688 0.255 . . . . 0.0 111.688 -178.597 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1886 ' ' ALA . . . . . . . . . . . . . . . -63.42 -48.41 77.92 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.895 0.379 . . . . 0.0 110.951 -179.001 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1887 ' ' ASN . . . . . . . . . . . . . 94.1 m-20 -68.02 -30.59 69.87 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.217 -179.872 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1888 ' ' GLN . . . . . 0.418 ' HB2' ' O ' ' A' 1884 ' ' PRO . 0.9 OUTLIER -63.61 -56.17 17.97 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.637 -0.71 . . . . 0.0 109.994 178.515 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A 1889 ' ' LEU . . . . . 0.526 HD12 HG11 ' A' 1868 ' ' VAL . 1.1 tt -53.32 -43.05 67.32 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.143 -0.935 . . . . 0.0 109.596 178.644 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1890 ' ' THR . . . . . . . . . . . . . 40.7 m -60.18 -44.22 95.24 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.453 -0.794 . . . . 0.0 111.059 179.203 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1891 ' ' SER . . . . . . . . . . . . . 35.9 m -67.13 -44.65 79.33 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.154 -178.434 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1892 ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -64.63 -44.35 90.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.211 -179.343 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1893 ' ' TYR . . . . . . . . . . . . . 41.0 t80 -57.42 -41.37 80.26 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-O 120.613 0.245 . . . . 0.0 110.679 177.554 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1894 ' ' GLY . . . . . . . . . . . . . . . -56.5 -38.82 82.41 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 121.087 -0.578 . . . . 0.0 112.3 178.268 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1895 ' ' ARG . . . . . . . . . . . . . 74.6 ttt180 -71.84 -47.4 53.39 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.089 0.471 . . . . 0.0 110.185 176.54 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1896 ' ' LEU . . . . . 0.649 HD12 ' HB2' ' A' 1857 ' ' MET . 60.1 tp -55.43 -55.54 30.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.564 -0.744 . . . . 0.0 111.8 -177.705 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1897 ' ' ALA . . . . . . . . . . . . . . . -64.06 -24.29 67.65 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.812 -175.69 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1898 ' ' SER . . . . . . . . . . . . . 50.6 m -82.6 -32.85 28.2 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.128 0.489 . . . . 0.0 110.196 -177.272 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1899 ' ' GLN . . . . . . . . . . . . . 15.6 mt-30 -73.96 -9.47 58.67 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.502 -0.772 . . . . 0.0 110.551 178.615 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1900 ' ' ALA . . . . . . . . . . . . . . . -71.82 -32.7 67.83 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.32 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1901 ' ' LYS . . . . . 0.409 ' N ' ' HD2' ' A' 1902 ' ' PRO . 21.8 tptm -67.84 -56.66 11.18 Favored Pre-proline 0 CA--C 1.537 0.464 0 C-N-CA 120.864 -0.334 . . . . 0.0 111.491 -177.62 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1902 ' ' PRO . . . . . 0.441 ' HB2' ' CE1' ' A' 1853 ' ' TYR . 28.5 Cg_endo -63.24 -25.76 72.13 Favored 'Trans proline' 0 C--N 1.354 0.825 0 C-N-CA 122.001 1.801 . . . . 0.0 112.353 179.62 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1903 ' ' ALA . . . . . 0.42 ' HB2' ' HB3' ' A' 1853 ' ' TYR . . . -74.47 -29.92 61.64 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.966 0.412 . . . . 0.0 110.688 178.101 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1904 ' ' ALA . . . . . . . . . . . . . . . -76.21 -28.22 57.12 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.777 -177.612 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1905 ' ' VAL . . . . . . . . . . . . . 34.4 m -92.22 -3.88 10.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.552 178.645 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1906 ' ' ALA . . . . . 0.531 ' O ' ' HB2' ' A' 1850 ' ' PHE . . . -111.25 9.55 21.73 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.234 177.082 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1907 ' ' ALA . . . . . . . . . . . . . . . -64.48 135.12 55.74 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.438 -0.801 . . . . 0.0 111.828 -176.232 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1908 ' ' GLU . . . . . 0.574 ' HA ' ' HB3' ' A' 1847 ' ' GLU . 43.6 mt-10 -73.4 -27.22 61.34 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.571 -0.741 . . . . 0.0 110.271 177.425 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1909 ' ' ASN . . . . . 0.418 ' HB2' ' CD1' ' A' 1912 ' ' ILE . 85.9 m-20 -137.56 159.02 43.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.012 -179.565 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1910 ' ' GLU . . . . . . . . . . . . . 27.3 tt0 -55.96 -53.67 54.1 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 123.701 0.626 . . . . 0.0 111.693 -177.666 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1911 ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -62.91 -39.08 93.45 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.72 -0.673 . . . . 0.0 111.46 -174.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1912 ' ' ILE . . . . . 0.629 ' O ' HG13 ' A' 1916 ' ' ILE . 80.6 mt -52.12 -53.4 18.64 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 O-C-N 123.308 0.38 . . . . 0.0 110.715 -178.886 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1913 ' ' GLY . . . . . 0.555 ' HA2' HD12 ' A' 1916 ' ' ILE . . . -65.55 -26.83 72.06 Favored Glycine 0 CA--C 1.517 0.208 0 C-N-CA 120.968 -0.635 . . . . 0.0 112.702 -179.085 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1914 ' ' ALA . . . . . . . . . . . . . . . -76.15 -42.25 47.34 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.737 0.303 . . . . 0.0 110.642 179.855 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1915 ' ' HIS . . . . . 0.584 ' O ' ' HG2' ' A' 1919 ' ' ARG . 96.1 m-70 -66.09 -36.4 83.08 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.841 -178.609 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1916 ' ' ILE . . . . . 0.629 HG13 ' O ' ' A' 1912 ' ' ILE . 89.9 mt -52.9 -57.21 4.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.01 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1917 ' ' LYS . . . . . 0.594 ' HB2' ' HZ1' ' A' 1917 ' ' LYS . 9.5 mtmp? -68.66 -26.92 65.56 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.713 -179.351 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1918 ' ' HIS . . . . . . . . . . . . . 49.9 t-80 -63.98 -44.9 91.31 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.234 0.54 . . . . 0.0 110.009 177.588 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1919 ' ' ARG . . . . . 0.617 ' HD2' ' HB3' ' A' 1963 ' ' HIS . 21.7 mmt180 -76.74 -29.2 56.06 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.438 -0.801 . . . . 0.0 111.97 -172.422 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1920 ' ' VAL . . . . . . . . . . . . . 24.6 m -78.84 -26.28 13.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 C-N-CA 120.337 -0.545 . . . . 0.0 110.439 177.262 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1921 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.37 -40.17 64.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.073 0.463 . . . . 0.0 110.188 179.406 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1922 ' ' GLU . . . . . 0.565 ' HG3' ' HG3' ' A' 1960 ' ' LYS . 10.9 pt-20 -72.43 -28.22 62.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 109.925 179.659 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1923 ' ' LEU . . . . . 0.992 ' HG ' ' HB3' ' A' 1960 ' ' LYS . 4.5 mt -71.51 -37.88 71.17 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.518 174.08 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1924 ' ' GLY . . . . . . . . . . . . . . . -54.53 -45.42 76.9 Favored Glycine 0 N--CA 1.453 -0.199 0 CA-C-N 116.15 -0.477 . . . . 0.0 113.008 -178.461 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1925 ' ' HIS . . . . . . . . . . . . . 33.3 m170 -62.39 -48.07 81.36 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.038 0.447 . . . . 0.0 110.458 179.27 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1926 ' ' GLY . . . . . 0.454 ' HA3' HG13 ' A' 1957 ' ' VAL . . . -68.12 -43.53 80.54 Favored Glycine 0 N--CA 1.448 -0.53 0 CA-C-N 115.756 -0.656 . . . . 0.0 112.934 -176.764 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1927 ' ' CYS . . . . . . . . . . . . . 82.4 m -61.81 -46.63 88.69 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.714 0.292 . . . . 0.0 111.049 -178.833 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1928 ' ' SER . . . . . . . . . . . . . 15.9 m -65.39 -36.85 85.21 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.776 -178.129 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1929 ' ' ALA . . . . . . . . . . . . . . . -70.19 -40.67 74.47 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.04 0.448 . . . . 0.0 110.482 177.185 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1930 ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -61.9 -51.82 66.61 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.631 -178.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1931 ' ' VAL . . . . . . . . . . . . . 31.7 m -63.15 -28.4 45.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.623 -0.262 . . . . 0.0 111.125 -177.683 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1932 ' ' THR . . . . . . . . . . . . . 91.8 m -65.12 -48.09 74.83 Favored 'General case' 0 N--CA 1.453 -0.3 0 N-CA-C 109.914 -0.402 . . . . 0.0 109.914 175.283 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1933 ' ' LYS . . . . . . . . . . . . . 74.0 mmtt -69.6 -35.54 75.41 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.919 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1934 ' ' ALA . . . . . . . . . . . . . . . -59.57 -50.15 75.0 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.601 176.369 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1935 ' ' GLY . . . . . . . . . . . . . . . -67.51 -35.43 86.72 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.816 -0.707 . . . . 0.0 112.028 177.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1936 ' ' ALA . . . . . . . . . . . . . . . -63.9 -46.39 85.07 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.552 0.215 . . . . 0.0 111.138 178.706 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1937 ' ' LEU . . . . . 0.443 ' N ' HG23 ' A' 1946 ' ' THR . 36.2 tp -69.05 -30.55 68.91 Favored 'General case' 0 CA--C 1.514 -0.406 0 CA-C-O 121.277 0.561 . . . . 0.0 109.851 178.295 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1938 ' ' GLN . . . . . . . . . . . . . 11.1 tt0 -60.51 -40.09 90.15 Favored 'General case' 0 N--CA 1.444 -0.749 0 CA-C-N 115.387 -0.824 . . . . 0.0 110.246 177.558 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1939 ' ' CYS . . . . . . . . . . . . . 86.3 m -79.61 -32.64 41.87 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.153 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1940 ' ' SER . . . . . . . . . . . . . 45.6 m -122.47 81.75 46.77 Favored Pre-proline 0 C--N 1.327 -0.386 0 CA-C-O 120.875 0.369 . . . . 0.0 110.692 178.042 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1941 ' ' PRO . . . . . 0.914 ' HB3' ' HG3' ' A' 1879 ' ' PRO . 23.3 Cg_exo -67.25 -22.32 46.67 Favored 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 123.332 2.688 . . . . 0.0 113.149 -174.317 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1942 ' ' SER . . . . . . . . . . . . . 44.7 m -99.09 11.66 38.38 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.236 -176.129 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1943 ' ' ASP . . . . . . . . . . . . . 19.3 t70 -98.33 107.39 19.84 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.935 0.397 . . . . 0.0 110.044 177.03 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1944 ' ' VAL . . . . . . . . . . . . . 10.6 p -72.64 -27.87 26.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.312 -175.505 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1945 ' ' TYR . . . . . . . . . . . . . 90.4 m-85 -64.76 -45.47 86.25 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.978 0.418 . . . . 0.0 110.35 -177.435 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1946 ' ' THR . . . . . 0.443 HG23 ' N ' ' A' 1937 ' ' LEU . 55.3 m -60.9 -40.62 93.8 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.622 176.252 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1947 ' ' LYS . . . . . . . . . . . . . 28.2 ttpt -64.67 -42.15 95.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.088 179.501 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1948 ' ' LYS . . . . . 0.543 ' HE2' ' HA ' ' A' 1948 ' ' LYS . 8.6 mmpt? -55.82 -50.56 70.2 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.856 179.278 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1949 ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 -58.43 -35.78 72.61 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.046 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1950 ' ' LEU . . . . . . . . . . . . . 6.8 tt -63.35 -51.87 64.16 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.105 179.641 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1951 ' ' ILE . . . . . 0.462 ' HA ' ' CG1' ' A' 1872 ' ' VAL . 1.8 mp -60.24 -45.43 96.17 Favored 'Isoleucine or valine' 0 C--O 1.235 0.32 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.849 179.892 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1952 ' ' GLU . . . . . 0.517 ' O ' ' HG3' ' A' 1956 ' ' ARG . 7.6 mm-40 -62.91 -35.83 81.37 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.403 -177.778 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1953 ' ' CYS . . . . . 0.418 ' O ' HG12 ' A' 1957 ' ' VAL . 16.5 t -77.01 -46.76 22.72 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.584 -0.28 . . . . 0.0 111.009 -177.149 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1954 ' ' ALA . . . . . . . . . . . . . . . -60.98 -40.07 92.03 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 112.173 0.435 . . . . 0.0 112.173 -174.812 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1955 ' ' ARG . . . . . 0.411 HH21 ' CD ' ' A' 1952 ' ' GLU . 47.0 ptt85 -67.93 -24.65 65.21 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 120.954 -0.298 . . . . 0.0 111.013 -179.058 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1956 ' ' ARG . . . . . 0.517 ' HG3' ' O ' ' A' 1952 ' ' GLU . 25.3 mtm180 -81.55 -40.06 23.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.827 0.346 . . . . 0.0 111.212 179.432 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1957 ' ' VAL . . . . . 0.454 HG13 ' HA3' ' A' 1926 ' ' GLY . 9.9 m -71.74 -23.65 22.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.601 -0.272 . . . . 0.0 111.019 -176.569 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1958 ' ' SER . . . . . 0.709 ' O ' HG23 ' A' 1961 ' ' VAL . 19.8 t -64.81 -23.77 67.34 Favored 'General case' 0 C--O 1.222 -0.383 0 CA-C-N 116.525 -0.307 . . . . 0.0 110.231 178.186 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1959 ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -69.8 -38.71 76.73 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.346 0.593 . . . . 0.0 109.653 174.633 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1960 ' ' LYS . . . . . 0.992 ' HB3' ' HG ' ' A' 1923 ' ' LEU . 13.0 mptt -63.68 -33.1 74.88 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.303 -0.862 . . . . 0.0 110.631 -178.644 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1961 ' ' VAL . . . . . 0.714 HG21 ' HB2' ' A' 1865 ' ' ALA . 1.6 m -66.11 -38.79 82.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 116.16 -0.473 . . . . 0.0 109.98 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1962 ' ' SER . . . . . 0.442 ' HA ' HD11 ' A' 1965 ' ' LEU . 3.4 m -70.57 -25.69 63.19 Favored 'General case' 0 N--CA 1.442 -0.836 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.165 177.077 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1963 ' ' HIS . . . . . 0.617 ' HB3' ' HD2' ' A' 1919 ' ' ARG . 67.5 m170 -72.3 -39.26 68.42 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.379 -0.828 . . . . 0.0 110.346 179.655 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1964 ' ' VAL . . . . . 0.491 ' O ' HD23 ' A' 1968 ' ' LEU . 92.3 t -60.27 -42.38 90.33 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.151 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 173.186 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1965 ' ' LEU . . . . . 0.622 ' HG ' ' O ' ' A' 1961 ' ' VAL . 65.8 mt -58.65 -47.87 82.98 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.48 -0.782 . . . . 0.0 111.066 179.142 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1966 ' ' ALA . . . . . . . . . . . . . . . -70.03 -30.26 67.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.854 -177.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1967 ' ' ALA . . . . . . . . . . . . . . . -69.62 -48.05 61.37 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.864 0.364 . . . . 0.0 110.992 179.587 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1968 ' ' LEU . . . . . 0.542 HD22 ' SD ' ' A' 1857 ' ' MET . 4.2 mm? -78.91 -42.3 27.5 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.766 -174.838 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1969 ' ' GLN . . . . . . . . . . . . . 47.6 mt-30 -81.4 14.55 2.41 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.674 0.273 . . . . 0.0 111.487 -175.478 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1970 ' ' ALA . . . . . . . . . . . . . . . -68.17 -72.24 0.18 Allowed 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.947 -0.39 . . . . 0.0 109.947 175.087 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1971 ' ' GLY . . . . . . . . . . . . . . . 67.92 -125.88 22.85 Favored Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.845 -0.693 . . . . 0.0 112.7 178.724 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1972 ' ' ASN . . . . . . . . . . . . . 14.6 t-20 -88.75 84.34 6.7 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.114 0.483 . . . . 0.0 110.932 -176.115 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1973 ' ' ARG . . . . . . . . . . . . . 5.2 ptp85 . . . . . 0 C--O 1.248 0.998 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.035 175.53 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A 1837 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.789 0 N-CA-C 112.236 -0.346 . . . . 0.0 112.236 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A 1838 ' ' ILE . . . . . . . . . . . . . 49.0 mm -117.91 -64.42 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 N-CA-C 109.67 -0.492 . . . . 0.0 109.67 178.803 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1839 ' ' ASP . . . . . 0.461 ' HA ' ' HD3' ' A' 1840 ' ' PRO . 10.5 m-20 69.04 125.89 0.03 OUTLIER Pre-proline 0 N--CA 1.468 0.426 0 CA-C-N 114.899 -1.046 . . . . 0.0 111.632 177.796 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1840 ' ' PRO . . . . . 0.461 ' HD3' ' HA ' ' A' 1839 ' ' ASP . 2.0 Cg_endo -81.11 37.15 0.66 Allowed 'Trans proline' 0 N--CA 1.462 -0.325 0 C-N-CA 123.332 2.688 . . . . 0.0 111.794 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1841 ' ' PHE . . . . . . . . . . . . . 91.4 m-85 -130.17 162.56 28.61 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.079 -177.857 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1842 ' ' THR . . . . . 0.541 ' HA ' ' OD1' ' A' 1845 ' ' ASP . 37.1 p 49.24 73.6 0.23 Allowed 'General case' 0 C--N 1.332 -0.188 0 O-C-N 123.931 0.769 . . . . 0.0 111.449 -176.886 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1843 ' ' MET . . . . . . . . . . . . . 26.1 ptt? -73.63 -32.41 64.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.622 -0.717 . . . . 0.0 111.711 -175.764 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1844 ' ' GLY . . . . . . . . . . . . . . . -151.09 37.95 0.85 Allowed Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 120.712 -0.756 . . . . 0.0 111.789 -179.735 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1845 ' ' ASP . . . . . 0.541 ' OD1' ' HA ' ' A' 1842 ' ' THR . 7.1 m-20 -89.34 150.22 44.28 Favored Pre-proline 0 C--N 1.323 -0.577 0 N-CA-C 110.224 -0.287 . . . . 0.0 110.224 -178.661 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1846 ' ' PRO . . . . . . . . . . . . . 6.4 Cg_endo -49.55 -69.0 0.08 OUTLIER 'Trans proline' 0 C--N 1.347 0.46 0 C-N-CA 123.506 2.804 . . . . 0.0 113.364 -176.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1847 ' ' GLU . . . . . 0.453 ' HB3' ' HG2' ' A' 1908 ' ' GLU . 0.0 OUTLIER -128.41 -36.26 1.91 Allowed 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.006 0.432 . . . . 0.0 111.952 -178.043 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A 1848 ' ' GLY . . . . . . . . . . . . . . . 117.94 44.81 0.52 Allowed Glycine 0 C--N 1.316 -0.537 0 C-N-CA 120.899 -0.667 . . . . 0.0 112.871 177.484 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1849 ' ' SER . . . . . . . . . . . . . 3.1 m 57.98 45.11 18.6 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-O 121.108 0.48 . . . . 0.0 111.388 178.404 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1850 ' ' PHE . . . . . . . . . . . . . 89.3 t80 -58.23 -31.08 67.03 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.914 -179.026 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1851 ' ' VAL . . . . . . . . . . . . . 17.2 m -61.61 -29.48 46.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.811 -176.501 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1852 ' ' ASP . . . . . . . . . . . . . 21.4 t70 -70.1 -50.22 43.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.977 0.418 . . . . 0.0 110.36 -179.66 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1853 ' ' TYR . . . . . 0.506 ' O ' ' HG2' ' A' 1857 ' ' MET . 36.0 m-85 -66.82 -37.22 84.1 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.64 -0.709 . . . . 0.0 109.947 179.415 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1854 ' ' GLN . . . . . 0.815 ' HG3' ' HB3' ' A' 1968 ' ' LEU . 48.0 tt0 -56.27 -58.67 6.97 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.324 -0.853 . . . . 0.0 111.083 177.036 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1855 ' ' THR . . . . . 0.441 ' O ' ' HG2' ' A' 1859 ' ' ARG . 28.7 m -59.24 -41.15 88.06 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.854 -0.612 . . . . 0.0 112.035 -174.194 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1856 ' ' THR . . . . . 0.516 HG22 ' N ' ' A' 1857 ' ' MET . 15.0 t -66.71 -46.19 76.32 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 111.993 0.368 . . . . 0.0 111.993 -174.034 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1857 ' ' MET . . . . . 0.578 ' HE1' ' HA ' ' A' 1900 ' ' ALA . 13.6 ptm -79.93 -24.15 41.26 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.828 -0.349 . . . . 0.0 111.455 -173.085 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1858 ' ' VAL . . . . . 0.41 HG11 ' O ' ' A' 1854 ' ' GLN . 19.1 m -72.99 -34.53 46.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 C-N-CA 119.704 -0.799 . . . . 0.0 109.42 173.662 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1859 ' ' ARG . . . . . 0.441 ' HG2' ' O ' ' A' 1855 ' ' THR . 15.5 mmm180 -66.25 -39.31 89.41 Favored 'General case' 0 CA--C 1.52 -0.191 0 N-CA-C 109.406 -0.59 . . . . 0.0 109.406 173.036 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1860 ' ' THR . . . . . 0.508 ' O ' HG13 ' A' 1864 ' ' ILE . 33.8 m -64.54 -41.37 96.39 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.516 -0.765 . . . . 0.0 110.678 178.086 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1861 ' ' ALA . . . . . 0.424 ' HB3' ' HB ' ' A' 1961 ' ' VAL . . . -62.48 -39.92 95.0 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.897 0.38 . . . . 0.0 110.725 177.29 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1862 ' ' LYS . . . . . . . . . . . . . 59.6 mttm -67.09 -33.42 75.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.394 176.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1863 ' ' ALA . . . . . . . . . . . . . . . -65.25 -45.63 83.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.061 175.194 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1864 ' ' ILE . . . . . 0.621 HG12 ' HB3' ' A' 1892 ' ' ASP . 58.1 mt -59.29 -43.65 90.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.179 175.65 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1865 ' ' ALA . . . . . 0.688 ' HB3' HG23 ' A' 1961 ' ' VAL . . . -59.4 -44.72 92.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.842 -178.675 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1866 ' ' VAL . . . . . 0.495 ' HA ' ' HG2' ' A' 1869 ' ' GLN . 10.4 p -74.51 -27.09 20.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 C-N-CA 120.599 -0.44 . . . . 0.0 110.487 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1867 ' ' THR . . . . . 0.629 ' O ' ' HG3' ' A' 1871 ' ' MET . 68.3 m -67.22 -56.87 8.07 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 110.132 -0.321 . . . . 0.0 110.132 173.763 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1868 ' ' VAL . . . . . 0.564 ' HA ' ' SD ' ' A' 1871 ' ' MET . 32.5 m -62.79 -34.39 65.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.685 -175.537 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1869 ' ' GLN . . . . . 0.507 ' O ' HG22 ' A' 1872 ' ' VAL . 1.5 pt20 -72.67 -32.56 65.92 Favored 'General case' 0 N--CA 1.452 -0.372 0 C-N-CA 120.714 -0.394 . . . . 0.0 110.46 -177.907 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1870 ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -70.82 -29.33 65.46 Favored 'General case' 0 C--O 1.217 -0.611 0 C-N-CA 120.817 -0.353 . . . . 0.0 110.428 175.524 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1871 ' ' MET . . . . . 0.629 ' HG3' ' O ' ' A' 1867 ' ' THR . 59.3 mtp -61.45 -42.57 98.96 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.628 0.252 . . . . 0.0 110.364 179.61 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1872 ' ' VAL . . . . . 0.988 ' HB ' HG13 ' A' 1951 ' ' ILE . 1.1 m -72.51 -29.17 30.08 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.383 0 CA-C-O 121.672 0.749 . . . . 0.0 110.273 178.813 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1873 ' ' THR . . . . . . . . . . . . . 91.0 m -79.22 -37.39 38.25 Favored 'General case' 0 C--N 1.315 -0.929 0 CA-C-N 114.642 -1.163 . . . . 0.0 110.797 -177.439 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1874 ' ' LYS . . . . . . . . . . . . . 73.2 mmtt -74.35 -41.32 61.25 Favored 'General case' 0 C--O 1.217 -0.647 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.897 179.245 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1875 ' ' SER . . . . . . . . . . . . . 33.0 p -53.51 -19.81 4.14 Favored 'General case' 0 N--CA 1.465 0.318 0 N-CA-C 112.899 0.703 . . . . 0.0 112.899 -173.359 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1876 ' ' ASN . . . . . . . . . . . . . 91.2 m-20 -72.95 -40.85 65.03 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 111.774 0.287 . . . . 0.0 111.774 -178.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1877 ' ' THR . . . . . . . . . . . . . 34.3 p -122.4 -16.53 7.32 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 112.209 0.448 . . . . 0.0 112.209 -177.378 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1878 ' ' SER . . . . . . . . . . . . . 52.5 m -135.49 100.8 11.19 Favored Pre-proline 0 C--N 1.319 -0.747 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.566 -175.001 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1879 ' ' PRO . . . . . 0.816 ' HA ' HD12 ' A' 1882 ' ' LEU . 36.4 Cg_endo -91.15 2.94 4.51 Favored 'Trans proline' 0 N--CA 1.445 -1.355 0 C-N-CA 121.604 1.536 . . . . 0.0 110.905 171.515 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1880 ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -85.68 -38.72 18.03 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 114.771 -1.104 . . . . 0.0 110.995 178.837 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1881 ' ' GLU . . . . . . . . . . . . . 22.6 mm-40 -66.46 -14.91 62.88 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-O 121.317 0.58 . . . . 0.0 111.029 -179.48 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1882 ' ' LEU . . . . . 0.816 HD12 ' HA ' ' A' 1879 ' ' PRO . 4.9 mt -79.11 -3.1 43.77 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 115.458 -0.792 . . . . 0.0 111.52 -176.165 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1883 ' ' GLY . . . . . . . . . . . . . . . -76.31 -61.36 2.82 Favored Glycine 0 N--CA 1.447 -0.611 0 C-N-CA 120.454 -0.879 . . . . 0.0 111.333 170.378 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1884 ' ' PRO . . . . . . . . . . . . . 41.9 Cg_exo -58.85 -44.37 36.41 Favored 'Trans proline' 0 C--N 1.348 0.53 0 C-N-CA 122.775 2.317 . . . . 0.0 112.57 175.512 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1885 ' ' LEU . . . . . 0.402 ' HB3' ' HG2' ' A' 1871 ' ' MET . 66.2 mt -59.5 -33.77 71.77 Favored 'General case' 0 N--CA 1.464 0.231 0 N-CA-C 112.122 0.416 . . . . 0.0 112.122 -176.583 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1886 ' ' ALA . . . . . . . . . . . . . . . -69.1 -47.16 65.91 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.974 0.416 . . . . 0.0 110.712 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1887 ' ' ASN . . . . . . . . . . . . . 93.5 m-20 -68.78 -27.61 66.04 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.171 0.51 . . . . 0.0 110.004 177.587 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1888 ' ' GLN . . . . . . . . . . . . . 52.5 tp60 -64.9 -54.96 22.57 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.374 -0.83 . . . . 0.0 110.019 175.648 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1889 ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -52.4 -46.05 66.14 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.443 0.639 . . . . 0.0 109.633 177.372 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1890 ' ' THR . . . . . . . . . . . . . 45.3 m -57.57 -45.03 85.69 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.228 -0.896 . . . . 0.0 111.11 179.515 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1891 ' ' SER . . . . . . . . . . . . . 40.9 m -69.83 -39.27 76.55 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.964 -178.775 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1892 ' ' ASP . . . . . 0.621 ' HB3' HG12 ' A' 1864 ' ' ILE . 57.9 m-20 -60.48 -48.64 80.89 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.604 177.741 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1893 ' ' TYR . . . . . . . . . . . . . 75.4 t80 -59.49 -36.88 76.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.852 178.343 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1894 ' ' GLY . . . . . . . . . . . . . . . -59.07 -34.81 81.05 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.988 -0.625 . . . . 0.0 112.478 179.098 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1895 ' ' ARG . . . . . . . . . . . . . 23.6 ttt180 -78.55 -35.86 45.43 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.107 0.48 . . . . 0.0 110.421 178.117 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1896 ' ' LEU . . . . . 0.649 HD13 HG12 ' A' 1964 ' ' VAL . 63.7 tp -68.15 -50.25 55.78 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.35 -179.24 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1897 ' ' ALA . . . . . . . . . . . . . . . -64.76 -24.46 67.56 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.902 -0.59 . . . . 0.0 112.07 -175.26 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1898 ' ' SER . . . . . . . . . . . . . 4.1 p -81.22 -44.1 18.29 Favored 'General case' 0 C--N 1.324 -0.519 0 C-N-CA 120.891 -0.324 . . . . 0.0 110.631 -177.854 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1899 ' ' GLN . . . . . . . . . . . . . 13.9 mm100 -65.57 -18.08 65.06 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.296 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1900 ' ' ALA . . . . . 0.578 ' HA ' ' HE1' ' A' 1857 ' ' MET . . . -63.1 -28.48 70.1 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.324 178.701 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1901 ' ' LYS . . . . . 0.687 ' HB3' ' HD3' ' A' 1902 ' ' PRO . 0.5 OUTLIER -75.2 -56.96 1.82 Allowed Pre-proline 0 CA--C 1.54 0.563 0 C-N-CA 120.839 -0.344 . . . . 0.0 111.143 -177.365 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A 1902 ' ' PRO . . . . . 0.687 ' HD3' ' HB3' ' A' 1901 ' ' LYS . 38.8 Cg_exo -61.49 -27.43 82.18 Favored 'Trans proline' 0 C--N 1.357 1.021 0 C-N-CA 121.994 1.796 . . . . 0.0 112.346 178.848 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1903 ' ' ALA . . . . . . . . . . . . . . . -73.42 -33.46 64.96 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.927 0.394 . . . . 0.0 110.692 177.814 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1904 ' ' ALA . . . . . . . . . . . . . . . -75.97 -31.58 59.09 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.858 -177.484 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1905 ' ' VAL . . . . . . . . . . . . . 17.1 m -80.51 -21.03 11.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.822 179.642 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1906 ' ' ALA . . . . . . . . . . . . . . . -96.97 11.01 37.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.189 0.519 . . . . 0.0 110.381 177.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1907 ' ' ALA . . . . . 0.414 ' HB2' ' HB ' ' A' 1912 ' ' ILE . . . -92.46 118.28 30.8 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.758 -179.38 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1908 ' ' GLU . . . . . 0.453 ' HG2' ' HB3' ' A' 1847 ' ' GLU . 22.6 mm-40 -67.25 -49.31 64.89 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.815 -179.114 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1909 ' ' ASN . . . . . 0.677 ' HB2' HG13 ' A' 1912 ' ' ILE . 3.2 m-20 -88.31 149.29 23.86 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.458 -176.74 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1910 ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -49.89 -54.18 21.25 Favored 'General case' 0 CA--C 1.516 -0.329 0 O-C-N 123.885 0.741 . . . . 0.0 111.059 -179.781 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1911 ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -70.65 -30.81 67.54 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-N 114.543 -1.208 . . . . 0.0 112.161 -170.06 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1912 ' ' ILE . . . . . 0.677 HG13 ' HB2' ' A' 1909 ' ' ASN . 53.6 mt -56.48 -53.91 34.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 C-N-CA 120.55 -0.46 . . . . 0.0 110.041 -179.702 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1913 ' ' GLY . . . . . . . . . . . . . . . -75.04 -26.27 67.0 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.609 -0.805 . . . . 0.0 112.265 -179.259 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1914 ' ' ALA . . . . . . . . . . . . . . . -72.33 -42.75 65.03 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.78 0.324 . . . . 0.0 110.571 -178.615 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1915 ' ' HIS . . . . . 0.604 ' O ' ' HG2' ' A' 1919 ' ' ARG . 74.6 m-70 -67.02 -40.13 87.18 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.903 -178.531 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1916 ' ' ILE . . . . . 0.553 HG13 ' O ' ' A' 1912 ' ' ILE . 99.1 mt -51.7 -55.29 9.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 O-C-N 123.543 0.527 . . . . 0.0 110.979 178.846 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1917 ' ' LYS . . . . . . . . . . . . . 52.1 mtmt -71.27 -35.4 71.35 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.02 -178.302 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1918 ' ' HIS . . . . . . . . . . . . . 48.0 t-80 -63.37 -38.43 91.13 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.186 -178.442 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1919 ' ' ARG . . . . . 0.604 ' HG2' ' O ' ' A' 1915 ' ' HIS . 31.1 mmt180 -73.69 -47.16 41.71 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.495 -0.32 . . . . 0.0 111.216 -177.054 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1920 ' ' VAL . . . . . 0.405 ' HA ' ' HB2' ' A' 1923 ' ' LEU . 30.0 m -66.42 -26.93 38.89 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-O 120.915 0.388 . . . . 0.0 110.897 -179.03 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1921 ' ' GLN . . . . . . . . . . . . . 24.9 tm0? -62.44 -39.29 92.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.341 177.701 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1922 ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -79.23 -30.37 43.17 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.131 0.491 . . . . 0.0 110.094 179.258 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1923 ' ' LEU . . . . . 0.525 ' HG ' ' HB3' ' A' 1960 ' ' LYS . 4.3 mt -65.13 -34.7 79.01 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.063 178.219 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1924 ' ' GLY . . . . . . . . . . . . . . . -55.22 -41.71 79.86 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 121.111 -0.566 . . . . 0.0 112.354 178.582 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1925 ' ' HIS . . . . . . . . . . . . . 24.0 m170 -66.59 -44.58 81.79 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.919 -0.4 . . . . 0.0 109.919 179.059 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1926 ' ' GLY . . . . . . . . . . . . . . . -64.8 -43.8 95.66 Favored Glycine 0 N--CA 1.449 -0.47 0 CA-C-N 115.657 -0.701 . . . . 0.0 112.355 -178.439 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1927 ' ' CYS . . . . . . . . . . . . . 62.8 m -61.71 -49.56 75.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.821 0.344 . . . . 0.0 110.313 178.519 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1928 ' ' SER . . . . . . . . . . . . . 41.3 t -61.38 -39.1 89.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.99 -179.443 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1929 ' ' ALA . . . . . 0.462 ' O ' ' HG2' ' A' 1933 ' ' LYS . . . -69.05 -46.03 68.9 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.497 -0.319 . . . . 0.0 110.892 179.071 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1930 ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -62.58 -47.52 83.46 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.988 -176.646 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1931 ' ' VAL . . . . . . . . . . . . . 24.4 m -63.22 -27.95 44.09 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.203 0 CA-C-O 120.888 0.375 . . . . 0.0 110.94 -178.247 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1932 ' ' THR . . . . . . . . . . . . . 44.3 m -74.77 -41.19 60.51 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.18 176.519 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1933 ' ' LYS . . . . . 0.462 ' HG2' ' O ' ' A' 1929 ' ' ALA . 74.6 mmtt -65.53 -37.48 86.85 Favored 'General case' 0 C--N 1.333 -0.132 0 CA-C-O 120.989 0.423 . . . . 0.0 110.289 177.071 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1934 ' ' ALA . . . . . . . . . . . . . . . -61.79 -42.65 99.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.594 177.005 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1935 ' ' GLY . . . . . . . . . . . . . . . -67.47 -41.43 90.55 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.009 177.372 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1936 ' ' ALA . . . . . . . . . . . . . . . -61.39 -46.78 88.73 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.44 0.162 . . . . 0.0 111.286 179.031 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1937 ' ' LEU . . . . . 0.436 ' HB2' HG21 ' A' 1946 ' ' THR . 21.7 tp -69.72 -29.73 67.19 Favored 'General case' 0 CA--C 1.517 -0.295 0 CA-C-O 121.105 0.478 . . . . 0.0 110.561 179.247 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1938 ' ' GLN . . . . . 0.417 ' HG3' ' O ' ' A' 1879 ' ' PRO . 7.9 tt0 -66.79 -29.21 69.1 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-O 121.323 0.582 . . . . 0.0 110.008 -179.865 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1939 ' ' CYS . . . . . . . . . . . . . 57.9 m -86.62 -36.71 18.66 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.588 176.432 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1940 ' ' SER . . . . . . . . . . . . . 20.2 m -118.89 78.66 16.34 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.547 -0.297 . . . . 0.0 110.637 178.513 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1941 ' ' PRO . . . . . 0.494 ' HB3' ' HG3' ' A' 1879 ' ' PRO . 11.0 Cg_exo -73.0 -17.61 24.87 Favored 'Trans proline' 0 C--N 1.344 0.32 0 C-N-CA 122.961 2.44 . . . . 0.0 112.67 -174.292 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1942 ' ' SER . . . . . . . . . . . . . 18.6 m -90.42 -2.7 57.96 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.149 -177.668 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1943 ' ' ASP . . . . . . . . . . . . . 12.2 t70 -90.91 111.36 22.75 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.983 0.42 . . . . 0.0 110.036 -178.527 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1944 ' ' VAL . . . . . . . . . . . . . 9.9 p -74.17 -26.77 21.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.811 -177.072 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1945 ' ' TYR . . . . . . . . . . . . . 90.4 m-85 -69.31 -43.48 73.69 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.514 -0.312 . . . . 0.0 110.707 -177.433 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1946 ' ' THR . . . . . 0.436 HG21 ' HB2' ' A' 1937 ' ' LEU . 65.5 m -58.2 -40.63 82.06 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.338 174.506 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1947 ' ' LYS . . . . . . . . . . . . . 22.7 ttpt -66.45 -42.64 87.29 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.303 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1948 ' ' LYS . . . . . 0.475 ' HE2' ' HA ' ' A' 1948 ' ' LYS . 9.3 mmpt? -51.42 -48.23 62.72 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.645 178.576 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1949 ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -60.06 -38.94 84.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.214 -178.511 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1950 ' ' LEU . . . . . 0.533 HD12 HD21 ' A' 1882 ' ' LEU . 7.8 tt -64.84 -50.47 66.53 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.429 -178.383 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1951 ' ' ILE . . . . . 0.988 HG13 ' HB ' ' A' 1872 ' ' VAL . 1.9 mp -60.63 -43.19 94.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-O 120.893 0.378 . . . . 0.0 110.02 177.384 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1952 ' ' GLU . . . . . 0.508 ' O ' ' HG3' ' A' 1956 ' ' ARG . 6.5 mm-40 -64.77 -29.45 70.42 Favored 'General case' 0 CA--C 1.517 -0.32 0 CA-C-N 115.749 -0.659 . . . . 0.0 111.16 -178.747 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1953 ' ' CYS . . . . . 0.403 ' O ' HG13 ' A' 1957 ' ' VAL . 57.1 m -76.19 -51.26 12.48 Favored 'General case' 0 C--N 1.316 -0.89 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.471 179.093 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1954 ' ' ALA . . . . . 0.538 ' HA ' HG22 ' A' 1957 ' ' VAL . . . -62.26 -37.67 86.34 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 111.857 0.317 . . . . 0.0 111.857 -175.331 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1955 ' ' ARG . . . . . . . . . . . . . 7.1 ppt_? -66.49 -25.07 66.53 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.809 0.338 . . . . 0.0 110.803 179.69 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1956 ' ' ARG . . . . . 0.508 ' HG3' ' O ' ' A' 1952 ' ' GLU . 47.2 mtm105 -82.53 -43.67 16.85 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.885 176.718 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1957 ' ' VAL . . . . . 0.621 ' O ' HG12 ' A' 1961 ' ' VAL . 12.6 m -68.51 -29.26 43.37 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.168 0 C-N-CA 120.928 -0.309 . . . . 0.0 111.294 -176.18 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1958 ' ' SER . . . . . 0.618 ' O ' HG22 ' A' 1961 ' ' VAL . 36.7 t -64.24 -24.48 67.68 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-O 120.986 0.422 . . . . 0.0 110.216 177.243 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1959 ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -75.32 -39.3 59.65 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 109.95 -0.389 . . . . 0.0 109.95 173.46 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1960 ' ' LYS . . . . . 0.525 ' HB3' ' HG ' ' A' 1923 ' ' LEU . 71.0 mmtt -61.62 -41.7 97.84 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.127 -0.488 . . . . 0.0 109.907 178.712 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1961 ' ' VAL . . . . . 0.688 HG23 ' HB3' ' A' 1865 ' ' ALA . 3.2 m -65.89 -34.08 67.89 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.345 178.718 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1962 ' ' SER . . . . . 0.469 ' HA ' HD12 ' A' 1965 ' ' LEU . 53.9 m -67.61 -24.97 65.54 Favored 'General case' 0 N--CA 1.454 -0.272 0 CA-C-O 121.268 0.556 . . . . 0.0 110.109 177.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1963 ' ' HIS . . . . . . . . . . . . . 63.8 m170 -80.03 -27.98 39.38 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.36 179.726 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1964 ' ' VAL . . . . . 0.649 HG12 HD13 ' A' 1896 ' ' LEU . 92.5 t -64.81 -47.59 87.91 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.344 0 N-CA-C 108.583 -0.895 . . . . 0.0 108.583 172.618 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1965 ' ' LEU . . . . . 0.571 ' HG ' ' O ' ' A' 1961 ' ' VAL . 20.7 mt -52.58 -52.83 53.27 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.109 -0.95 . . . . 0.0 109.865 176.689 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1966 ' ' ALA . . . . . . . . . . . . . . . -62.68 -44.35 96.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.763 -0.653 . . . . 0.0 112.069 -178.214 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1967 ' ' ALA . . . . . . . . . . . . . . . -58.5 -46.64 86.28 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-O 120.854 0.359 . . . . 0.0 111.084 179.703 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1968 ' ' LEU . . . . . 0.815 ' HB3' ' HG3' ' A' 1854 ' ' GLN . 4.3 mm? -70.03 -30.09 67.29 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.835 179.189 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1969 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.76 -6.73 46.7 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-O 120.671 0.272 . . . . 0.0 111.252 -179.331 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1970 ' ' ALA . . . . . . . . . . . . . . . -75.64 -10.51 59.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.916 0.388 . . . . 0.0 110.285 176.454 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1971 ' ' GLY . . . . . . . . . . . . . . . -82.23 -154.26 13.73 Favored Glycine 0 N--CA 1.447 -0.62 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.923 176.881 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1972 ' ' ASN . . . . . . . . . . . . . 13.3 m120 60.85 75.04 0.43 Allowed 'General case' 0 N--CA 1.465 0.279 0 CA-C-O 121.134 0.492 . . . . 0.0 110.032 -177.617 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1973 ' ' ARG . . . . . . . . . . . . . 27.4 mmm180 . . . . . 0 C--O 1.246 0.877 0 CA-C-O 118.502 -0.761 . . . . 0.0 110.04 -175.879 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A 1837 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.633 0 N-CA-C 111.574 -0.61 . . . . 0.0 111.574 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A 1838 ' ' ILE . . . . . . . . . . . . . 9.6 tt -149.26 127.16 2.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-O 121.037 0.446 . . . . 0.0 110.437 176.816 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1839 ' ' ASP . . . . . . . . . . . . . 20.5 t70 -69.37 125.64 92.1 Favored Pre-proline 0 C--N 1.325 -0.468 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.008 178.429 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1840 ' ' PRO . . . . . . . . . . . . . 94.1 Cg_endo -81.03 5.61 6.11 Favored 'Trans proline' 0 N--CA 1.464 -0.229 0 C-N-CA 122.803 2.335 . . . . 0.0 113.73 -175.459 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1841 ' ' PHE . . . . . . . . . . . . . 94.2 m-85 -102.86 171.6 7.31 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.045 0.45 . . . . 0.0 110.889 -178.31 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1842 ' ' THR . . . . . . . . . . . . . 23.9 p -121.97 14.67 10.73 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.506 -176.261 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1843 ' ' MET . . . . . . . . . . . . . 67.6 mtm 67.03 169.87 0.25 Allowed 'General case' 0 C--O 1.234 0.272 0 CA-C-N 115.389 -0.823 . . . . 0.0 111.695 179.063 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1844 ' ' GLY . . . . . . . . . . . . . . . -73.27 142.08 30.98 Favored Glycine 0 N--CA 1.447 -0.601 0 C-N-CA 120.785 -0.722 . . . . 0.0 111.551 176.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1845 ' ' ASP . . . . . . . . . . . . . 1.3 t70 -92.89 114.47 62.7 Favored Pre-proline 0 C--N 1.321 -0.639 0 CA-C-O 121.246 0.546 . . . . 0.0 111.524 179.815 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1846 ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -93.17 -21.55 0.38 Allowed 'Trans proline' 0 N--CA 1.455 -0.758 0 C-N-CA 123.531 2.821 . . . . 0.0 114.073 177.71 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1847 ' ' GLU . . . . . 0.496 ' HB3' ' HG2' ' A' 1908 ' ' GLU . 2.2 pp20? -107.16 -32.86 7.63 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 113.281 0.845 . . . . 0.0 113.281 -168.699 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1848 ' ' GLY . . . . . . . . . . . . . . . 118.23 -47.37 1.04 Allowed Glycine 0 CA--C 1.527 0.789 0 N-CA-C 115.921 1.129 . . . . 0.0 115.921 171.873 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1849 ' ' SER . . . . . . . . . . . . . 20.8 m -137.3 -21.28 1.19 Allowed 'General case' 0 N--CA 1.469 0.5 0 CA-C-N 118.572 1.186 . . . . 0.0 113.958 -165.858 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1850 ' ' PHE . . . . . 0.419 ' HB3' ' CD ' ' A' 1847 ' ' GLU . 94.2 t80 -61.53 -21.36 64.19 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.924 0.392 . . . . 0.0 111.034 -175.558 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1851 ' ' VAL . . . . . . . . . . . . . 20.9 m -52.17 -33.73 17.11 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.322 0 CA-C-N 115.791 -0.641 . . . . 0.0 112.073 178.229 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1852 ' ' ASP . . . . . . . . . . . . . 13.8 t70 -76.1 -45.61 33.07 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-O 121.099 0.476 . . . . 0.0 110.576 -178.275 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1853 ' ' TYR . . . . . 0.662 ' O ' ' HG2' ' A' 1857 ' ' MET . 52.2 m-85 -69.43 -34.05 73.88 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.602 -177.47 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1854 ' ' GLN . . . . . 0.65 ' HG3' ' HB3' ' A' 1968 ' ' LEU . 31.0 tt0 -58.57 -60.08 4.38 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.823 178.009 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1855 ' ' THR . . . . . . . . . . . . . 23.9 m -63.71 -30.38 71.49 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.795 -0.639 . . . . 0.0 112.471 -173.037 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1856 ' ' THR . . . . . 0.531 HG21 ' N ' ' A' 1857 ' ' MET . 15.1 t -69.92 -50.08 45.61 Favored 'General case' 0 C--N 1.325 -0.485 0 C-N-CA 120.341 -0.543 . . . . 0.0 111.395 -176.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1857 ' ' MET . . . . . 0.673 ' HG3' HD12 ' A' 1968 ' ' LEU . 9.6 ptm -82.1 -16.89 48.4 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 112.258 0.466 . . . . 0.0 112.258 -173.205 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1858 ' ' VAL . . . . . . . . . . . . . 30.6 m -68.72 -40.49 81.63 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.187 0 C-N-CA 119.476 -0.889 . . . . 0.0 108.724 173.626 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1859 ' ' ARG . . . . . 0.539 HH21 ' HD3' ' A' 1862 ' ' LYS . 4.5 mmp_? -64.49 -38.32 90.62 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.683 -0.69 . . . . 0.0 109.867 176.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1860 ' ' THR . . . . . . . . . . . . . 19.4 m -64.74 -45.1 87.91 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.801 177.57 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1861 ' ' ALA . . . . . . . . . . . . . . . -62.04 -40.04 94.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.017 0.437 . . . . 0.0 110.571 177.594 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1862 ' ' LYS . . . . . 0.539 ' HD3' HH21 ' A' 1859 ' ' ARG . 44.9 mttm -64.85 -35.87 82.51 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.511 176.721 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1863 ' ' ALA . . . . . . . . . . . . . . . -69.17 -38.73 78.88 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.424 178.396 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1864 ' ' ILE . . . . . . . . . . . . . 71.4 mt -64.26 -43.82 97.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 116.249 -0.432 . . . . 0.0 109.971 174.213 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1865 ' ' ALA . . . . . 0.731 ' HB1' HG22 ' A' 1961 ' ' VAL . . . -58.55 -45.81 88.15 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.62 179.74 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1866 ' ' VAL . . . . . 0.534 ' O ' ' HG3' ' A' 1870 ' ' GLU . 14.7 p -70.26 -34.7 59.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 C-N-CA 120.369 -0.532 . . . . 0.0 110.451 179.666 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1867 ' ' THR . . . . . 0.634 ' O ' ' HG3' ' A' 1871 ' ' MET . 99.6 m -63.71 -52.7 59.38 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.58 0.229 . . . . 0.0 110.839 177.271 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1868 ' ' VAL . . . . . 0.492 ' HA ' ' SD ' ' A' 1871 ' ' MET . 34.1 m -62.52 -35.03 68.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.6 -0.273 . . . . 0.0 110.817 -177.462 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1869 ' ' GLN . . . . . 0.578 ' O ' HG22 ' A' 1872 ' ' VAL . 2.0 pt20 -74.4 -26.58 60.18 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 120.767 -0.373 . . . . 0.0 110.166 -179.488 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1870 ' ' GLU . . . . . 0.534 ' HG3' ' O ' ' A' 1866 ' ' VAL . 46.0 mt-10 -68.36 -37.2 80.23 Favored 'General case' 0 C--O 1.223 -0.337 0 N-CA-C 109.775 -0.454 . . . . 0.0 109.775 172.755 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1871 ' ' MET . . . . . 0.634 ' HG3' ' O ' ' A' 1867 ' ' THR . 41.7 mtp -60.87 -39.38 88.98 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.778 -178.36 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1872 ' ' VAL . . . . . 0.942 ' HB ' HG13 ' A' 1951 ' ' ILE . 1.9 m -73.17 -28.63 26.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 121.43 0.633 . . . . 0.0 110.597 179.162 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1873 ' ' THR . . . . . . . . . . . . . 28.5 m -80.93 -51.53 8.45 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-N 115.167 -0.924 . . . . 0.0 111.445 -178.116 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1874 ' ' LYS . . . . . 0.501 ' HG3' HD12 ' A' 1885 ' ' LEU . 74.0 mmtt -63.42 -36.14 82.73 Favored 'General case' 0 C--O 1.222 -0.378 0 CA-C-N 115.647 -0.706 . . . . 0.0 111.568 -176.262 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1875 ' ' SER . . . . . 0.613 ' HB3' HD13 ' A' 1882 ' ' LEU . 5.5 p -56.42 -16.72 6.23 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 113.273 0.842 . . . . 0.0 113.273 -173.144 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1876 ' ' ASN . . . . . . . . . . . . . 58.3 m-80 -75.18 -38.01 61.01 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.622 0.249 . . . . 0.0 111.484 -179.188 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1877 ' ' THR . . . . . . . . . . . . . 46.1 p -117.14 -30.21 5.71 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.261 0.553 . . . . 0.0 111.473 -177.655 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1878 ' ' SER . . . . . . . . . . . . . 70.3 m -125.31 94.0 44.06 Favored Pre-proline 0 C--N 1.319 -0.731 0 CA-C-N 115.663 -0.699 . . . . 0.0 111.613 -174.753 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1879 ' ' PRO . . . . . 0.8 ' HA ' HD12 ' A' 1882 ' ' LEU . 38.0 Cg_endo -86.21 -16.53 4.07 Favored 'Trans proline' 0 N--CA 1.444 -1.387 0 C-N-CA 121.213 1.275 . . . . 0.0 111.435 171.135 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1880 ' ' GLU . . . . . 0.507 ' OE1' ' HD2' ' A' 1879 ' ' PRO . 37.9 mp0 -73.57 -31.93 63.88 Favored 'General case' 0 C--O 1.231 0.081 0 CA-C-O 121.205 0.526 . . . . 0.0 109.837 175.348 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1881 ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -69.76 -14.37 62.74 Favored 'General case' 0 N--CA 1.445 -0.703 0 CA-C-O 121.784 0.802 . . . . 0.0 110.497 -177.588 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1882 ' ' LEU . . . . . 0.8 HD12 ' HA ' ' A' 1879 ' ' PRO . 0.7 OUTLIER -77.76 -6.43 54.01 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.327 -0.851 . . . . 0.0 112.296 -175.78 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A 1883 ' ' GLY . . . . . . . . . . . . . . . -71.62 -61.08 3.99 Favored Glycine 0 N--CA 1.447 -0.589 0 C-N-CA 120.264 -0.969 . . . . 0.0 111.362 173.571 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1884 ' ' PRO . . . . . 0.434 ' HA ' ' OD1' ' A' 1887 ' ' ASN . 37.4 Cg_endo -67.78 -10.13 27.79 Favored 'Trans proline' 0 C--N 1.347 0.496 0 C-N-CA 122.734 2.29 . . . . 0.0 112.875 176.44 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1885 ' ' LEU . . . . . 0.501 HD12 ' HG3' ' A' 1874 ' ' LYS . 36.6 mt -82.21 -36.64 27.04 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.994 0.426 . . . . 0.0 110.58 171.266 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1886 ' ' ALA . . . . . . . . . . . . . . . -71.38 -45.97 61.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.252 -178.466 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1887 ' ' ASN . . . . . 0.434 ' OD1' ' HA ' ' A' 1884 ' ' PRO . 18.3 p-10 -67.99 -26.95 66.16 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.136 0.493 . . . . 0.0 109.729 178.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1888 ' ' GLN . . . . . 0.459 ' HG3' HG22 ' A' 1867 ' ' THR . 25.9 tp60 -69.47 -48.7 59.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.611 177.799 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1889 ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -56.04 -49.35 73.98 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 108.985 -0.746 . . . . 0.0 108.985 175.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1890 ' ' THR . . . . . . . . . . . . . 32.6 m -57.34 -45.37 84.39 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.057 -0.974 . . . . 0.0 111.242 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1891 ' ' SER . . . . . . . . . . . . . 28.8 t -64.7 -46.68 81.31 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.01 -178.757 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1892 ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -67.54 -39.82 85.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.926 -177.336 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1893 ' ' TYR . . . . . . . . . . . . . 43.1 t80 -60.53 -44.18 96.37 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.538 -0.301 . . . . 0.0 110.916 178.215 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1894 ' ' GLY . . . . . . . . . . . . . . . -55.01 -42.01 79.4 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.738 -0.744 . . . . 0.0 111.645 178.586 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1895 ' ' ARG . . . . . . . . . . . . . 37.1 ttp180 -64.05 -47.61 79.51 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.492 -0.354 . . . . 0.0 110.539 177.489 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1896 ' ' LEU . . . . . 0.444 HD11 HG12 ' A' 1964 ' ' VAL . 51.4 tp -57.42 -47.19 82.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.921 177.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1897 ' ' ALA . . . . . . . . . . . . . . . -63.29 -24.42 67.85 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.311 -179.425 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1898 ' ' SER . . . . . . . . . . . . . 48.4 m -80.03 -23.82 41.18 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.124 -178.013 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1899 ' ' GLN . . . . . 0.434 ' O ' ' HD2' ' A' 1902 ' ' PRO . 14.7 mm100 -84.12 -21.38 31.43 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.576 179.824 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1900 ' ' ALA . . . . . . . . . . . . . . . -64.59 -33.96 77.15 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.609 -179.809 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1901 ' ' LYS . . . . . 0.681 ' HB3' ' HD3' ' A' 1902 ' ' PRO . 58.8 tptt -64.77 -57.53 16.1 Favored Pre-proline 0 CA--C 1.542 0.666 0 CA-C-N 116.289 -0.414 . . . . 0.0 112.047 -176.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1902 ' ' PRO . . . . . 0.681 ' HD3' ' HB3' ' A' 1901 ' ' LYS . 6.8 Cg_exo -73.41 -24.18 16.7 Favored 'Trans proline' 0 C--N 1.354 0.861 0 C-N-CA 122.024 1.816 . . . . 0.0 112.5 -177.766 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1903 ' ' ALA . . . . . . . . . . . . . . . -72.51 -35.0 68.02 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.896 0.379 . . . . 0.0 111.025 -179.592 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1904 ' ' ALA . . . . . . . . . . . . . . . -72.33 -35.69 68.65 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.078 0.466 . . . . 0.0 110.56 -176.64 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1905 ' ' VAL . . . . . . . . . . . . . 26.4 m -84.18 -7.45 10.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.309 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1906 ' ' ALA . . . . . . . . . . . . . . . -100.38 -13.11 18.9 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.074 0.464 . . . . 0.0 110.593 177.32 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1907 ' ' ALA . . . . . . . . . . . . . . . -79.23 113.22 17.19 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.916 -0.583 . . . . 0.0 111.027 -179.045 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1908 ' ' GLU . . . . . 0.496 ' HG2' ' HB3' ' A' 1847 ' ' GLU . 1.4 pt-20 -65.41 -21.14 66.63 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.198 176.77 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1909 ' ' ASN . . . . . . . . . . . . . 27.6 t-20 -93.98 143.43 26.36 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.866 -177.319 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1910 ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -61.83 -53.78 51.24 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.452 179.423 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1911 ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 -63.28 -44.96 93.58 Favored 'General case' 0 N--CA 1.447 -0.581 0 CA-C-N 115.646 -0.707 . . . . 0.0 111.958 -172.56 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1912 ' ' ILE . . . . . 0.591 ' O ' HG13 ' A' 1916 ' ' ILE . 60.2 mt -52.25 -54.45 14.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 123.081 0.238 . . . . 0.0 110.75 -177.888 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1913 ' ' GLY . . . . . . . . . . . . . . . -65.43 -32.33 83.16 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.374 -179.834 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1914 ' ' ALA . . . . . . . . . . . . . . . -74.78 -37.3 62.44 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.85 0.357 . . . . 0.0 111.072 -177.276 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1915 ' ' HIS . . . . . 0.543 ' O ' ' HG2' ' A' 1919 ' ' ARG . 87.2 m-70 -76.74 -38.57 53.98 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.309 -177.781 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1916 ' ' ILE . . . . . 0.591 HG13 ' O ' ' A' 1912 ' ' ILE . 97.5 mt -53.04 -58.14 3.4 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.287 0 CA-C-O 120.932 0.396 . . . . 0.0 110.863 179.331 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1917 ' ' LYS . . . . . . . . . . . . . 53.1 mtmt -67.48 -24.85 65.64 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.361 -178.406 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1918 ' ' HIS . . . . . . . . . . . . . 41.9 t-80 -72.09 -46.79 55.42 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.256 179.536 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1919 ' ' ARG . . . . . 0.543 ' HG2' ' O ' ' A' 1915 ' ' HIS . 27.5 mmt180 -71.83 -39.22 69.92 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.655 -174.267 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1920 ' ' VAL . . . . . . . . . . . . . 34.9 m -64.75 -30.0 49.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 C-N-CA 120.742 -0.383 . . . . 0.0 110.395 178.561 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1921 ' ' GLN . . . . . . . . . . . . . 49.1 tt0 -64.75 -45.37 86.7 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.213 0.53 . . . . 0.0 110.12 175.022 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1922 ' ' GLU . . . . . 0.498 ' HB3' ' HD2' ' A' 1960 ' ' LYS . 33.6 mt-10 -66.25 -33.42 75.7 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.379 -0.828 . . . . 0.0 110.893 179.515 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1923 ' ' LEU . . . . . . . . . . . . . 43.5 mt -72.11 -32.72 67.23 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.231 177.727 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1924 ' ' GLY . . . . . . . . . . . . . . . -61.18 -47.1 92.81 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.962 -0.637 . . . . 0.0 112.633 -178.789 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1925 ' ' HIS . . . . . . . . . . . . . 35.6 m80 -74.64 -23.87 58.74 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.996 0.427 . . . . 0.0 110.34 -178.751 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1926 ' ' GLY . . . . . . . . . . . . . . . -72.6 -42.27 48.13 Favored Glycine 0 N--CA 1.447 -0.631 0 C-N-CA 120.51 -0.852 . . . . 0.0 111.197 174.491 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1927 ' ' CYS . . . . . . . . . . . . . 44.4 t -61.43 -48.28 81.88 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.55 -0.325 . . . . 0.0 110.924 178.102 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1928 ' ' SER . . . . . . . . . . . . . 13.1 p -61.95 -39.8 93.34 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.824 0.345 . . . . 0.0 111.267 -178.06 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1929 ' ' ALA . . . . . . . . . . . . . . . -67.66 -44.51 77.69 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.914 0.388 . . . . 0.0 110.722 177.835 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1930 ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -63.27 -52.65 61.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.735 -177.625 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1931 ' ' VAL . . . . . . . . . . . . . 32.6 m -62.62 -27.81 43.61 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.211 0 CA-C-O 120.735 0.302 . . . . 0.0 111.619 -175.873 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1932 ' ' THR . . . . . . . . . . . . . 97.3 m -67.77 -44.83 76.53 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-O 120.859 0.361 . . . . 0.0 110.466 176.48 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1933 ' ' LYS . . . . . 0.568 ' HZ2' ' CD ' ' A' 1949 ' ' GLU . 34.0 mmtp -75.73 -29.56 58.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.887 179.612 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1934 ' ' ALA . . . . . . . . . . . . . . . -59.46 -47.53 85.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.839 0.352 . . . . 0.0 110.1 174.47 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1935 ' ' GLY . . . . . . . . . . . . . . . -66.82 -33.31 83.75 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.849 -0.691 . . . . 0.0 111.922 176.605 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1936 ' ' ALA . . . . . . . . . . . . . . . -64.36 -52.93 55.84 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.549 0.214 . . . . 0.0 110.558 178.225 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1937 ' ' LEU . . . . . 0.557 ' HB2' HG21 ' A' 1946 ' ' THR . 35.4 tp -64.36 -31.47 72.69 Favored 'General case' 0 CA--C 1.514 -0.436 0 CA-C-O 121.067 0.461 . . . . 0.0 110.448 179.121 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1938 ' ' GLN . . . . . . . . . . . . . 25.8 tt0 -56.86 -38.87 73.33 Favored 'General case' 0 N--CA 1.447 -0.609 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.01 176.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1939 ' ' CYS . . . . . . . . . . . . . 23.6 t -87.24 -5.67 58.86 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.549 -0.75 . . . . 0.0 111.347 179.789 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1940 ' ' SER . . . . . . . . . . . . . 25.1 p -141.45 72.95 25.44 Favored Pre-proline 0 C--N 1.328 -0.368 0 CA-C-O 121.005 0.431 . . . . 0.0 111.698 -176.122 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1941 ' ' PRO . . . . . 0.706 ' HB3' ' HG3' ' A' 1879 ' ' PRO . 25.0 Cg_exo -64.8 -25.59 60.56 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.655 2.236 . . . . 0.0 112.717 -177.304 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1942 ' ' SER . . . . . . . . . . . . . 33.8 p -90.49 4.62 50.57 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.737 -176.363 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1943 ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -100.29 103.43 14.86 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.045 0.45 . . . . 0.0 111.08 179.497 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1944 ' ' VAL . . . . . 0.471 ' O ' ' HG2' ' A' 1948 ' ' LYS . 12.0 p -68.33 -32.31 55.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.524 179.428 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1945 ' ' TYR . . . . . 0.464 ' O ' ' HG3' ' A' 1949 ' ' GLU . 27.6 m-85 -59.24 -46.9 87.26 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.277 -177.886 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1946 ' ' THR . . . . . 0.557 HG21 ' HB2' ' A' 1937 ' ' LEU . 34.7 m -65.48 -31.9 73.23 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 114.815 -1.084 . . . . 0.0 110.897 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1947 ' ' LYS . . . . . 0.411 ' HG3' ' HB2' ' A' 1875 ' ' SER . 28.1 ttpt -71.76 -43.33 65.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.19 177.922 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1948 ' ' LYS . . . . . 0.513 ' HE2' ' HA ' ' A' 1948 ' ' LYS . 9.8 mmpt? -53.58 -51.06 64.2 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.575 -179.201 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1949 ' ' GLU . . . . . 0.568 ' CD ' ' HZ2' ' A' 1933 ' ' LYS . 38.7 mt-10 -55.38 -43.06 74.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.509 -0.769 . . . . 0.0 110.462 -178.74 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1950 ' ' LEU . . . . . 0.595 HD13 HD22 ' A' 1882 ' ' LEU . 7.4 tt -63.13 -47.37 83.04 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.778 -178.006 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1951 ' ' ILE . . . . . 0.942 HG13 ' HB ' ' A' 1872 ' ' VAL . 1.7 mp -58.33 -47.31 88.11 Favored 'Isoleucine or valine' 0 C--O 1.235 0.341 0 CA-C-O 120.978 0.418 . . . . 0.0 110.25 178.397 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1952 ' ' GLU . . . . . 0.442 ' HG2' ' O ' ' A' 1948 ' ' LYS . 72.0 mm-40 -65.55 -31.31 72.29 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.847 -179.804 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1953 ' ' CYS . . . . . 0.616 ' O ' ' HG2' ' A' 1956 ' ' ARG . 60.8 m -69.82 -39.64 76.39 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.733 179.568 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1954 ' ' ALA . . . . . 0.417 ' HB3' ' HB ' ' A' 1868 ' ' VAL . . . -70.95 -42.54 69.65 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.709 0.29 . . . . 0.0 111.543 -177.424 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1955 ' ' ARG . . . . . 0.439 ' O ' ' HG3' ' A' 1959 ' ' GLU . 2.7 ptp180 -69.82 -24.86 63.53 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.698 0.285 . . . . 0.0 111.534 -178.523 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1956 ' ' ARG . . . . . 0.616 ' HG2' ' O ' ' A' 1953 ' ' CYS . 10.0 ptm180 -81.47 -24.52 36.72 Favored 'General case' 0 C--N 1.324 -0.519 0 C-N-CA 120.413 -0.515 . . . . 0.0 110.453 -179.835 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1957 ' ' VAL . . . . . . . . . . . . . 16.4 m -89.2 -28.31 5.21 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.147 0 C-N-CA 120.665 -0.414 . . . . 0.0 111.019 176.206 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1958 ' ' SER . . . . . 0.574 ' O ' HG21 ' A' 1961 ' ' VAL . 11.9 p -62.6 -31.26 72.05 Favored 'General case' 0 C--O 1.231 0.096 0 CA-C-O 121.04 0.447 . . . . 0.0 110.584 178.385 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1959 ' ' GLU . . . . . 0.439 ' HG3' ' O ' ' A' 1955 ' ' ARG . 47.6 mt-10 -61.14 -42.42 98.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.639 0.733 . . . . 0.0 109.503 172.903 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1960 ' ' LYS . . . . . 0.498 ' HD2' ' HB3' ' A' 1922 ' ' GLU . 54.6 mtmt -77.0 -26.82 54.31 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.207 -0.906 . . . . 0.0 112.12 -172.341 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1961 ' ' VAL . . . . . 0.731 HG22 ' HB1' ' A' 1865 ' ' ALA . 4.3 m -68.79 -33.74 61.01 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.201 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 174.051 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1962 ' ' SER . . . . . 0.572 ' HA ' HD12 ' A' 1965 ' ' LEU . 19.2 t -70.67 -24.71 62.74 Favored 'General case' 0 N--CA 1.451 -0.383 0 CA-C-N 115.652 -0.703 . . . . 0.0 109.791 178.844 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1963 ' ' HIS . . . . . 0.418 ' ND1' ' HA ' ' A' 1960 ' ' LYS . 46.2 m170 -73.06 -28.47 62.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.107 178.714 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1964 ' ' VAL . . . . . 0.444 HG12 HD11 ' A' 1896 ' ' LEU . 89.2 t -66.99 -45.22 87.6 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.172 0 N-CA-C 108.906 -0.775 . . . . 0.0 108.906 172.314 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1965 ' ' LEU . . . . . 0.572 HD12 ' HA ' ' A' 1962 ' ' SER . 52.3 mt -53.95 -52.19 61.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.036 -0.984 . . . . 0.0 110.724 178.685 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1966 ' ' ALA . . . . . . . . . . . . . . . -61.71 -46.47 89.51 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.85 -0.614 . . . . 0.0 111.724 -178.069 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1967 ' ' ALA . . . . . . . . . . . . . . . -59.7 -42.57 93.33 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.022 0.439 . . . . 0.0 111.411 -177.561 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1968 ' ' LEU . . . . . 0.673 HD12 ' HG3' ' A' 1857 ' ' MET . 60.9 mt -69.04 -39.86 78.92 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.175 -178.043 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1969 ' ' GLN . . . . . . . . . . . . . 75.7 mt-30 -75.71 -4.28 39.47 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.442 -176.843 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1970 ' ' ALA . . . . . . . . . . . . . . . -79.97 4.57 16.5 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.17 179.616 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1971 ' ' GLY . . . . . . . . . . . . . . . -54.92 -48.58 66.19 Favored Glycine 0 C--N 1.335 0.511 0 N-CA-C 111.592 -0.603 . . . . 0.0 111.592 175.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1972 ' ' ASN . . . . . . . . . . . . . 48.1 m-80 -105.27 81.92 1.77 Allowed 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 109.041 -0.726 . . . . 0.0 109.041 173.047 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1973 ' ' ARG . . . . . . . . . . . . . 68.9 ttt180 . . . . . 0 C--O 1.25 1.111 0 CA-C-O 118.334 -0.841 . . . . 0.0 110.666 -172.66 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A 1837 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.699 0 N-CA-C 111.579 -0.608 . . . . 0.0 111.579 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A 1838 ' ' ILE . . . . . . . . . . . . . 29.5 mt -79.86 -62.33 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 N-CA-C 109.789 -0.449 . . . . 0.0 109.789 178.054 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1839 ' ' ASP . . . . . . . . . . . . . 3.0 m-20 54.44 99.09 0.04 OUTLIER Pre-proline 0 N--CA 1.466 0.37 0 CA-C-N 114.784 -1.098 . . . . 0.0 112.863 175.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1840 ' ' PRO . . . . . . . . . . . . . 71.5 Cg_endo -83.76 23.29 0.84 Allowed 'Trans proline' 0 N--CA 1.458 -0.583 0 C-N-CA 123.027 2.484 . . . . 0.0 111.982 178.469 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1841 ' ' PHE . . . . . . . . . . . . . 92.2 m-85 -94.37 -12.89 27.01 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.627 -178.667 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1842 ' ' THR . . . . . . . . . . . . . 9.6 p -79.57 99.16 7.18 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.259 0.552 . . . . 0.0 111.642 -177.642 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1843 ' ' MET . . . . . 0.745 ' HE1' ' HA ' ' A' 1905 ' ' VAL . 49.9 ttm -166.48 86.26 0.31 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.234 -0.894 . . . . 0.0 109.287 175.731 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1844 ' ' GLY . . . . . . . . . . . . . . . -74.67 -44.26 26.49 Favored Glycine 0 N--CA 1.445 -0.721 0 C-N-CA 120.9 -0.667 . . . . 0.0 112.085 -178.657 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1845 ' ' ASP . . . . . 0.43 ' HA ' ' HD3' ' A' 1846 ' ' PRO . 50.7 m-20 -117.03 112.56 39.99 Favored Pre-proline 0 C--N 1.323 -0.554 0 CA-C-O 120.76 0.314 . . . . 0.0 110.504 179.422 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1846 ' ' PRO . . . . . 0.776 ' O ' ' HA ' ' A' 1908 ' ' GLU . 5.0 Cg_exo -80.31 44.21 1.68 Allowed 'Trans proline' 0 N--CA 1.46 -0.478 0 C-N-CA 123.308 2.672 . . . . 0.0 110.815 174.796 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1847 ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -179.57 177.67 0.71 Allowed 'General case' 0 N--CA 1.452 -0.373 0 N-CA-C 108.766 -0.827 . . . . 0.0 108.766 -177.441 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1848 ' ' GLY . . . . . . . . . . . . . . . 126.82 -125.3 5.33 Favored Glycine 0 N--CA 1.449 -0.469 0 C-N-CA 120.129 -1.034 . . . . 0.0 113.381 173.689 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1849 ' ' SER . . . . . . . . . . . . . 19.5 m -87.14 28.06 0.97 Allowed 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.942 0.401 . . . . 0.0 111.258 -173.244 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1850 ' ' PHE . . . . . 0.404 ' HA ' ' HD2' ' A' 1853 ' ' TYR . 77.1 t80 -54.37 -28.98 46.89 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.395 176.066 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1851 ' ' VAL . . . . . . . . . . . . . 18.8 m -59.1 -32.27 47.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 115.229 -0.896 . . . . 0.0 112.391 -177.77 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1852 ' ' ASP . . . . . . . . . . . . . 27.8 t70 -74.47 -47.59 32.48 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.763 0.316 . . . . 0.0 110.534 -177.667 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1853 ' ' TYR . . . . . 0.494 ' O ' ' HG2' ' A' 1857 ' ' MET . 27.3 m-85 -63.04 -44.38 96.03 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 109.185 -0.672 . . . . 0.0 109.185 177.695 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1854 ' ' GLN . . . . . 0.774 ' HG3' ' HB3' ' A' 1968 ' ' LEU . 24.4 tt0 -50.21 -59.97 3.43 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 115.2 -0.909 . . . . 0.0 110.66 175.757 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1855 ' ' THR . . . . . 0.758 ' O ' ' HG2' ' A' 1859 ' ' ARG . 27.7 m -58.73 -36.25 74.0 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.996 -178.46 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1856 ' ' THR . . . . . 0.416 HG22 ' N ' ' A' 1857 ' ' MET . 1.3 m -63.43 -58.2 7.81 Favored 'General case' 0 N--CA 1.441 -0.922 0 N-CA-C 112.24 0.459 . . . . 0.0 112.24 -178.284 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1857 ' ' MET . . . . . 0.494 ' HG2' ' O ' ' A' 1853 ' ' TYR . 6.1 ptm -77.13 -18.06 58.18 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 111.94 0.348 . . . . 0.0 111.94 -171.136 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1858 ' ' VAL . . . . . 0.509 ' O ' ' HG3' ' A' 1862 ' ' LYS . 26.3 m -72.25 -31.7 40.13 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.112 0 C-N-CA 119.657 -0.817 . . . . 0.0 109.662 171.697 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1859 ' ' ARG . . . . . 0.758 ' HG2' ' O ' ' A' 1855 ' ' THR . 17.5 mmt180 -70.96 -36.47 72.57 Favored 'General case' 0 CA--C 1.52 -0.188 0 N-CA-C 109.211 -0.662 . . . . 0.0 109.211 174.636 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1860 ' ' THR . . . . . 0.455 HG23 ' HB2' ' A' 1896 ' ' LEU . 9.9 m -61.5 -45.04 95.88 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.334 -0.848 . . . . 0.0 110.42 177.317 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1861 ' ' ALA . . . . . 0.428 ' HB3' ' HB ' ' A' 1961 ' ' VAL . . . -59.52 -40.88 88.6 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.761 178.087 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1862 ' ' LYS . . . . . 0.509 ' HG3' ' O ' ' A' 1858 ' ' VAL . 56.9 mttm -64.73 -43.12 94.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.497 177.669 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1863 ' ' ALA . . . . . . . . . . . . . . . -61.56 -41.87 98.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.47 178.672 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1864 ' ' ILE . . . . . 0.627 ' O ' HG13 ' A' 1868 ' ' VAL . 68.5 mt -63.91 -46.07 95.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.469 176.135 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1865 ' ' ALA . . . . . 0.764 ' HB3' HG21 ' A' 1961 ' ' VAL . . . -58.66 -41.0 85.09 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 112.179 0.437 . . . . 0.0 112.179 -177.735 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1866 ' ' VAL . . . . . . . . . . . . . 12.1 p -72.78 -32.68 41.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 C-N-CA 120.358 -0.537 . . . . 0.0 110.234 179.588 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1867 ' ' THR . . . . . 0.679 ' O ' ' HG3' ' A' 1871 ' ' MET . 86.0 m -63.28 -54.33 38.97 Favored 'General case' 0 C--N 1.332 -0.19 0 C-N-CA 121.31 -0.156 . . . . 0.0 110.733 177.118 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1868 ' ' VAL . . . . . 0.627 HG13 ' O ' ' A' 1864 ' ' ILE . 3.3 m -58.05 -32.65 44.47 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.221 0 CA-C-O 121.662 0.744 . . . . 0.0 110.39 -177.769 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1869 ' ' GLN . . . . . . . . . . . . . 6.9 tp-100 -78.21 -33.83 49.7 Favored 'General case' 0 N--CA 1.423 -1.786 0 CA-C-N 115.0 -1.0 . . . . 0.0 110.39 -178.024 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1870 ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 -65.22 -40.86 94.68 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 110.024 -0.361 . . . . 0.0 110.024 171.672 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1871 ' ' MET . . . . . 0.679 ' HG3' ' O ' ' A' 1867 ' ' THR . 52.3 mtp -58.02 -42.45 85.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.863 -178.889 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1872 ' ' VAL . . . . . 0.763 ' HB ' HG13 ' A' 1951 ' ' ILE . 15.5 m -77.14 -28.47 16.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.437 179.888 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1873 ' ' THR . . . . . . . . . . . . . 87.2 m -73.49 -44.85 56.92 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.045 0.45 . . . . 0.0 110.766 177.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1874 ' ' LYS . . . . . . . . . . . . . 69.7 mmtt -66.91 -38.35 86.05 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.679 -177.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1875 ' ' SER . . . . . 0.615 ' HB3' HD13 ' A' 1882 ' ' LEU . 4.4 p -62.73 -9.96 11.06 Favored 'General case' 0 CA--C 1.534 0.329 0 N-CA-C 113.153 0.797 . . . . 0.0 113.153 -172.32 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1876 ' ' ASN . . . . . . . . . . . . . 60.5 m-80 -69.79 -29.75 67.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.796 0.332 . . . . 0.0 110.54 177.732 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1877 ' ' THR . . . . . . . . . . . . . 25.1 p -133.28 -32.76 1.16 Allowed 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 112.391 0.515 . . . . 0.0 112.391 -177.11 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1878 ' ' SER . . . . . . . . . . . . . 54.8 m -124.02 109.25 29.77 Favored Pre-proline 0 C--N 1.325 -0.471 0 CA-C-O 120.785 0.326 . . . . 0.0 111.693 -170.716 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1879 ' ' PRO . . . . . 0.737 ' HA ' HD12 ' A' 1882 ' ' LEU . 34.0 Cg_endo -91.83 -14.35 1.55 Allowed 'Trans proline' 0 N--CA 1.443 -1.466 0 C-N-CA 122.183 1.922 . . . . 0.0 112.64 174.678 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1880 ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -77.03 -33.02 57.43 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.884 0.374 . . . . 0.0 110.468 177.36 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1881 ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -61.73 -15.37 40.15 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.842 177.105 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1882 ' ' LEU . . . . . 0.737 HD12 ' HA ' ' A' 1879 ' ' PRO . 0.6 OUTLIER -81.85 -7.51 59.61 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.309 -0.859 . . . . 0.0 112.018 -175.038 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A 1883 ' ' GLY . . . . . . . . . . . . . . . -71.7 -60.34 4.34 Favored Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 120.722 -0.752 . . . . 0.0 111.683 176.09 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1884 ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -55.67 -36.87 95.62 Favored 'Trans proline' 0 C--N 1.347 0.473 0 C-N-CA 122.612 2.208 . . . . 0.0 112.177 177.169 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1885 ' ' LEU . . . . . 0.47 ' HB3' ' HG2' ' A' 1871 ' ' MET . 94.8 mt -67.68 -42.57 81.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.636 -178.077 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1886 ' ' ALA . . . . . . . . . . . . . . . -62.22 -46.67 87.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.052 0.454 . . . . 0.0 110.185 177.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1887 ' ' ASN . . . . . . . . . . . . . 4.5 m-20 -62.2 -34.77 77.09 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.584 -0.734 . . . . 0.0 110.69 177.475 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1888 ' ' GLN . . . . . . . . . . . . . 17.8 tp60 -70.48 -48.95 53.31 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.841 -177.634 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1889 ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -56.98 -47.17 81.4 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.303 -0.629 . . . . 0.0 109.303 177.915 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1890 ' ' THR . . . . . . . . . . . . . 52.8 m -59.46 -43.29 93.22 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.106 -0.952 . . . . 0.0 111.13 179.212 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1891 ' ' SER . . . . . . . . . . . . . 32.6 t -65.39 -47.63 75.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.488 -0.324 . . . . 0.0 111.19 -178.516 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1892 ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -66.58 -36.21 82.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.594 -0.275 . . . . 0.0 111.179 -177.518 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1893 ' ' TYR . . . . . . . . . . . . . 36.4 t80 -59.29 -40.75 87.12 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.625 0.25 . . . . 0.0 110.744 177.011 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1894 ' ' GLY . . . . . . . . . . . . . . . -58.33 -37.04 86.24 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.789 -0.719 . . . . 0.0 111.729 178.219 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1895 ' ' ARG . . . . . . . . . . . . . 13.4 ttp180 -70.28 -46.72 63.76 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.922 0.391 . . . . 0.0 110.174 177.669 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1896 ' ' LEU . . . . . 0.455 ' HB2' HG23 ' A' 1860 ' ' THR . 47.5 tp -56.77 -50.66 71.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.696 -0.684 . . . . 0.0 111.504 179.603 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1897 ' ' ALA . . . . . . . . . . . . . . . -64.47 -24.22 67.54 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.82 -176.281 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1898 ' ' SER . . . . . . . . . . . . . 54.1 m -81.34 -41.81 21.48 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.794 0.33 . . . . 0.0 110.438 -175.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1899 ' ' GLN . . . . . 0.421 ' HA ' ' OE1' ' A' 1899 ' ' GLN . 16.9 mm-40 -69.21 -12.47 61.7 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.887 -179.561 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1900 ' ' ALA . . . . . 0.479 ' HA ' ' HE1' ' A' 1857 ' ' MET . . . -66.68 -27.21 67.47 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.219 177.842 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1901 ' ' LYS . . . . . 0.464 ' HB3' ' HD3' ' A' 1902 ' ' PRO . 1.7 tmtp? -75.58 -58.39 1.42 Allowed Pre-proline 0 CA--C 1.54 0.584 0 C-N-CA 120.818 -0.353 . . . . 0.0 111.029 -177.471 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1902 ' ' PRO . . . . . 0.464 ' HD3' ' HB3' ' A' 1901 ' ' LYS . 36.6 Cg_endo -66.07 -23.47 53.48 Favored 'Trans proline' 0 C--N 1.356 0.932 0 C-N-CA 122.043 1.829 . . . . 0.0 112.762 -178.658 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1903 ' ' ALA . . . . . . . . . . . . . . . -76.05 -31.84 59.01 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.975 0.417 . . . . 0.0 110.596 177.074 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1904 ' ' ALA . . . . . . . . . . . . . . . -71.77 -31.04 66.21 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.746 -176.348 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1905 ' ' VAL . . . . . 0.745 ' HA ' ' HE1' ' A' 1843 ' ' MET . 35.2 m -92.21 2.49 8.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 115.802 -0.635 . . . . 0.0 111.388 -178.57 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1906 ' ' ALA . . . . . . . . . . . . . . . -119.26 -2.41 10.67 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.847 178.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1907 ' ' ALA . . . . . . . . . . . . . . . -75.0 136.73 41.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.956 -178.378 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1908 ' ' GLU . . . . . 0.776 ' HA ' ' O ' ' A' 1846 ' ' PRO . 1.8 mp0 -60.9 -26.05 67.17 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.904 -0.589 . . . . 0.0 112.382 -177.894 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1909 ' ' ASN . . . . . 0.499 ' OD1' ' HG3' ' A' 1911 ' ' GLU . 14.1 t-20 -137.14 151.5 48.9 Favored 'General case' 0 C--N 1.323 -0.549 0 C-N-CA 120.706 -0.398 . . . . 0.0 111.412 -172.855 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1910 ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -47.77 -53.82 14.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.241 -0.89 . . . . 0.0 111.035 173.316 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1911 ' ' GLU . . . . . 0.499 ' HG3' ' OD1' ' A' 1909 ' ' ASN . 28.4 mt-10 -54.82 -56.67 16.9 Favored 'General case' 0 CA--C 1.515 -0.377 0 CA-C-O 121.296 0.57 . . . . 0.0 111.098 -177.371 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1912 ' ' ILE . . . . . 0.483 HD13 ' CB ' ' A' 1909 ' ' ASN . 35.6 mt -53.2 -39.58 34.93 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.739 0 CA-C-N 114.575 -1.193 . . . . 0.0 111.282 -177.137 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1913 ' ' GLY . . . . . 0.404 ' HA2' HD13 ' A' 1916 ' ' ILE . . . -81.32 -29.97 38.84 Favored Glycine 0 N--CA 1.448 -0.52 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.767 179.04 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1914 ' ' ALA . . . . . . . . . . . . . . . -74.52 -38.92 62.67 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.68 0.276 . . . . 0.0 111.039 -177.28 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1915 ' ' HIS . . . . . 0.48 ' O ' ' HG2' ' A' 1919 ' ' ARG . 87.0 m-70 -62.39 -31.7 72.42 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.637 -179.161 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1916 ' ' ILE . . . . . 0.435 HG13 ' O ' ' A' 1912 ' ' ILE . 82.5 mt -56.06 -58.38 5.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.14 178.688 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1917 ' ' LYS . . . . . 0.408 ' HE2' ' HB2' ' A' 1917 ' ' LYS . 3.8 mppt? -65.1 -26.82 68.38 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-O 120.947 0.404 . . . . 0.0 111.326 -177.131 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1918 ' ' HIS . . . . . 0.4 ' O ' ' HG2' ' A' 1922 ' ' GLU . 0.2 OUTLIER -72.42 -41.41 66.23 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.752 0.31 . . . . 0.0 110.909 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A 1919 ' ' ARG . . . . . 0.48 ' HG2' ' O ' ' A' 1915 ' ' HIS . 23.5 mmt180 -81.5 -26.41 35.18 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 112.126 0.417 . . . . 0.0 112.126 -173.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1920 ' ' VAL . . . . . . . . . . . . . 34.9 m -72.42 -31.85 39.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 C-N-CA 120.227 -0.589 . . . . 0.0 110.184 175.602 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1921 ' ' GLN . . . . . . . . . . . . . 23.6 tp60 -67.03 -29.72 69.61 Favored 'General case' 0 C--O 1.236 0.373 0 CA-C-O 121.281 0.563 . . . . 0.0 109.939 176.142 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1922 ' ' GLU . . . . . 0.743 ' HB3' ' HD2' ' A' 1960 ' ' LYS . 11.6 mm-40 -59.95 -53.48 57.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.536 -0.757 . . . . 0.0 110.669 176.694 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1923 ' ' LEU . . . . . . . . . . . . . 49.0 mt -67.12 -24.0 65.88 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.754 178.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1924 ' ' GLY . . . . . . . . . . . . . . . -60.53 -40.54 97.92 Favored Glycine 0 N--CA 1.453 -0.209 0 C-N-CA 121.07 -0.585 . . . . 0.0 112.212 175.216 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1925 ' ' HIS . . . . . . . . . . . . . 39.4 m80 -76.11 -33.3 59.46 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.176 0.512 . . . . 0.0 109.936 177.588 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1926 ' ' GLY . . . . . . . . . . . . . . . -72.38 -52.7 9.96 Favored Glycine 0 N--CA 1.447 -0.627 0 CA-C-N 115.522 -0.763 . . . . 0.0 113.196 -176.735 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1927 ' ' CYS . . . . . . . . . . . . . 24.1 p -60.15 -44.66 94.79 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.861 0.331 . . . . 0.0 111.117 -176.467 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1928 ' ' SER . . . . . . . . . . . . . 40.4 t -58.37 -42.34 86.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.635 -179.719 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1929 ' ' ALA . . . . . . . . . . . . . . . -70.55 -43.77 68.85 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.915 0.388 . . . . 0.0 110.803 178.377 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1930 ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -63.34 -48.37 78.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.207 -177.022 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1931 ' ' VAL . . . . . . . . . . . . . 32.5 m -64.86 -28.86 45.78 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 CA-C-O 120.755 0.312 . . . . 0.0 110.949 -177.746 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1932 ' ' THR . . . . . . . . . . . . . 58.7 m -68.93 -40.84 78.78 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.192 176.178 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1933 ' ' LYS . . . . . 0.43 ' HA ' ' HD3' ' A' 1933 ' ' LYS . 72.5 mmtt -71.59 -35.66 70.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.339 178.324 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1934 ' ' ALA . . . . . . . . . . . . . . . -61.62 -48.33 81.36 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.381 175.309 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1935 ' ' GLY . . . . . . . . . . . . . . . -67.77 -32.63 78.32 Favored Glycine 0 N--CA 1.449 -0.47 0 C-N-CA 121.058 -0.592 . . . . 0.0 112.269 178.395 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1936 ' ' ALA . . . . . . . . . . . . . . . -67.79 -47.13 69.98 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.605 0.24 . . . . 0.0 110.793 178.045 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1937 ' ' LEU . . . . . . . . . . . . . 20.3 tp -69.92 -29.14 66.23 Favored 'General case' 0 CA--C 1.514 -0.413 0 CA-C-O 121.171 0.51 . . . . 0.0 110.531 179.662 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1938 ' ' GLN . . . . . 0.538 ' HA ' ' HB2' ' A' 1879 ' ' PRO . 36.8 tt0 -68.8 -28.62 66.93 Favored 'General case' 0 N--CA 1.443 -0.813 0 N-CA-C 109.558 -0.534 . . . . 0.0 109.558 177.591 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1939 ' ' CYS . . . . . . . . . . . . . 41.9 t -80.8 -48.27 12.7 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.661 -0.699 . . . . 0.0 109.954 175.491 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1940 ' ' SER . . . . . . . . . . . . . 24.5 m -112.9 90.63 15.92 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.098 176.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1941 ' ' PRO . . . . . . . . . . . . . 94.2 Cg_endo -80.57 -8.13 13.64 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.568 2.179 . . . . 0.0 113.614 -172.543 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1942 ' ' SER . . . . . . . . . . . . . 9.7 t -106.96 -6.64 17.4 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.748 0.308 . . . . 0.0 110.84 -176.12 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1943 ' ' ASP . . . . . . . . . . . . . 18.1 t70 -81.78 107.48 14.55 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.886 0.374 . . . . 0.0 110.149 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1944 ' ' VAL . . . . . . . . . . . . . 11.1 p -67.59 -33.62 63.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.09 -175.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1945 ' ' TYR . . . . . . . . . . . . . 95.5 m-85 -60.43 -43.7 96.52 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.935 0.398 . . . . 0.0 110.311 -178.293 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1946 ' ' THR . . . . . . . . . . . . . 63.7 m -60.17 -41.06 92.04 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.663 176.191 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1947 ' ' LYS . . . . . . . . . . . . . 18.1 ttpt -63.33 -44.66 94.25 Favored 'General case' 0 N--CA 1.455 -0.196 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.458 -179.132 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1948 ' ' LYS . . . . . 0.529 ' HZ1' ' HB3' ' A' 1948 ' ' LYS . 0.2 OUTLIER -60.94 -41.89 97.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.507 -0.315 . . . . 0.0 110.442 -176.453 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A 1949 ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -60.77 -28.71 68.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.828 178.779 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1950 ' ' LEU . . . . . 0.469 HD12 HD22 ' A' 1882 ' ' LEU . 6.4 tt -74.78 -54.91 6.46 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.113 179.497 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1951 ' ' ILE . . . . . 0.763 HG13 ' HB ' ' A' 1872 ' ' VAL . 2.1 mp -61.76 -48.08 90.33 Favored 'Isoleucine or valine' 0 C--O 1.234 0.285 0 CA-C-O 120.989 0.423 . . . . 0.0 111.122 -178.447 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1952 ' ' GLU . . . . . 0.575 ' O ' ' HG2' ' A' 1956 ' ' ARG . 33.5 mt-10 -68.2 -19.0 64.73 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.706 -175.401 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1953 ' ' CYS . . . . . . . . . . . . . 10.1 t -88.01 -36.55 16.95 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 121.004 -0.278 . . . . 0.0 110.754 178.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1954 ' ' ALA . . . . . 0.43 ' O ' HG23 ' A' 1957 ' ' VAL . . . -63.06 -33.58 75.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.048 0.451 . . . . 0.0 111.172 -178.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1955 ' ' ARG . . . . . . . . . . . . . 6.9 ptm180 -72.24 -22.58 61.22 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.626 177.464 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1956 ' ' ARG . . . . . 0.575 ' HG2' ' O ' ' A' 1952 ' ' GLU . 24.6 mmm180 -75.33 -38.83 59.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.198 0.523 . . . . 0.0 109.606 177.289 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1957 ' ' VAL . . . . . 0.544 ' O ' HG13 ' A' 1961 ' ' VAL . 6.6 m -79.83 -26.3 12.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.247 -177.231 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1958 ' ' SER . . . . . 0.521 ' O ' HG23 ' A' 1961 ' ' VAL . 6.8 p -64.39 -24.74 67.74 Favored 'General case' 0 CA--C 1.532 0.255 0 CA-C-O 121.182 0.515 . . . . 0.0 110.258 177.154 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1959 ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -70.03 -40.99 74.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.21 0.529 . . . . 0.0 110.211 172.204 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1960 ' ' LYS . . . . . 0.743 ' HD2' ' HB3' ' A' 1922 ' ' GLU . 72.1 mmtt -66.43 -37.76 85.9 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.859 -175.675 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1961 ' ' VAL . . . . . 0.764 HG21 ' HB3' ' A' 1865 ' ' ALA . 2.8 m -63.56 -35.11 71.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 120.938 0.399 . . . . 0.0 110.142 -179.829 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1962 ' ' SER . . . . . 0.46 ' HA ' HD11 ' A' 1965 ' ' LEU . 46.8 t -69.32 -27.55 65.47 Favored 'General case' 0 N--CA 1.452 -0.355 0 CA-C-N 115.921 -0.581 . . . . 0.0 109.937 177.804 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1963 ' ' HIS . . . . . . . . . . . . . 56.5 m170 -75.63 -31.39 59.85 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.916 -0.583 . . . . 0.0 110.101 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1964 ' ' VAL . . . . . 0.426 ' O ' HD21 ' A' 1968 ' ' LEU . 94.9 t -63.69 -43.37 98.04 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.226 0 N-CA-C 109.091 -0.707 . . . . 0.0 109.091 171.848 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1965 ' ' LEU . . . . . 0.582 ' HG ' ' O ' ' A' 1961 ' ' VAL . 63.0 mt -57.73 -47.52 82.22 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.369 -0.832 . . . . 0.0 110.456 178.498 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1966 ' ' ALA . . . . . . . . . . . . . . . -67.83 -42.61 81.19 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.757 -178.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1967 ' ' ALA . . . . . . . . . . . . . . . -60.56 -46.59 89.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.454 -177.538 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1968 ' ' LEU . . . . . 0.774 ' HB3' ' HG3' ' A' 1854 ' ' GLN . 4.2 mm? -73.26 -38.36 66.0 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.497 -177.906 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1969 ' ' GLN . . . . . . . . . . . . . 46.6 mt-30 -89.15 28.42 1.22 Allowed 'General case' 0 C--O 1.235 0.329 0 CA-C-O 121.03 0.443 . . . . 0.0 111.232 -177.028 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1970 ' ' ALA . . . . . . . . . . . . . . . -75.78 167.94 20.95 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.653 178.291 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1971 ' ' GLY . . . . . . . . . . . . . . . 95.97 -149.45 19.33 Favored Glycine 0 N--CA 1.446 -0.637 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.408 178.541 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1972 ' ' ASN . . . . . . . . . . . . . 6.0 t-20 -95.51 -50.68 4.87 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.832 0.349 . . . . 0.0 110.76 -178.203 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1973 ' ' ARG . . . . . . . . . . . . . 12.2 ptm180 . . . . . 0 C--O 1.248 0.996 0 CA-C-O 118.792 -0.623 . . . . 0.0 110.969 -176.493 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A 1837 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.67 0 N-CA-C 111.46 -0.656 . . . . 0.0 111.46 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A 1838 ' ' ILE . . . . . . . . . . . . . 59.5 mt -84.93 87.86 2.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 N-CA-C 109.11 -0.7 . . . . 0.0 109.11 175.65 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1839 ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -119.47 114.67 34.4 Favored Pre-proline 0 C--N 1.32 -0.701 0 CA-C-N 115.312 -0.858 . . . . 0.0 110.24 -178.09 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1840 ' ' PRO . . . . . . . . . . . . . 31.4 Cg_exo -58.5 -47.09 20.54 Favored 'Trans proline' 0 N--CA 1.463 -0.268 0 C-N-CA 122.358 2.039 . . . . 0.0 110.324 175.438 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1841 ' ' PHE . . . . . . . . . . . . . 43.5 p90 -148.38 172.9 13.67 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 114.847 -1.07 . . . . 0.0 108.529 172.234 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1842 ' ' THR . . . . . . . . . . . . . 77.5 p -108.15 -89.16 0.47 Allowed 'General case' 0 C--N 1.314 -0.946 0 C-N-CA 120.742 -0.383 . . . . 0.0 111.605 -176.182 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1843 ' ' MET . . . . . . . . . . . . . 45.7 ttm 176.61 -32.67 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.055 -0.52 . . . . 0.0 109.759 -176.013 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1844 ' ' GLY . . . . . . . . . . . . . . . 112.07 40.58 1.15 Allowed Glycine 0 N--CA 1.447 -0.571 0 N-CA-C 110.338 -1.105 . . . . 0.0 110.338 -172.481 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1845 ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -51.22 144.57 15.0 Favored Pre-proline 0 C--O 1.233 0.198 0 C-N-CA 123.645 0.778 . . . . 0.0 111.611 -173.798 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1846 ' ' PRO . . . . . . . . . . . . . 9.3 Cg_endo -53.08 -57.45 2.02 Favored 'Trans proline' 0 C--N 1.344 0.311 0 C-N-CA 123.113 2.542 . . . . 0.0 111.949 -179.225 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1847 ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -96.87 14.85 23.89 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.324 0.583 . . . . 0.0 110.259 177.612 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1848 ' ' GLY . . . . . . . . . . . . . . . 71.4 -174.57 41.45 Favored Glycine 0 N--CA 1.45 -0.371 0 CA-C-N 115.231 -0.895 . . . . 0.0 113.198 175.006 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1849 ' ' SER . . . . . . . . . . . . . 3.1 t -89.4 38.04 0.89 Allowed 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 108.679 -0.86 . . . . 0.0 108.679 175.251 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1850 ' ' PHE . . . . . . . . . . . . . 86.5 t80 -52.62 -28.71 22.45 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 114.647 -1.16 . . . . 0.0 111.595 -176.793 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1851 ' ' VAL . . . . . . . . . . . . . 16.8 m -57.98 -29.97 37.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 N-CA-C 112.63 0.604 . . . . 0.0 112.63 -175.8 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1852 ' ' ASP . . . . . . . . . . . . . 15.7 m-20 -70.17 -51.85 27.99 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 121.042 0.449 . . . . 0.0 110.358 -179.624 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1853 ' ' TYR . . . . . . . . . . . . . 10.0 m-85 -69.81 -33.47 72.38 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.62 -0.718 . . . . 0.0 109.866 -179.039 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1854 ' ' GLN . . . . . 0.991 ' HG3' ' HB3' ' A' 1968 ' ' LEU . 54.3 tt0 -55.65 -58.25 8.6 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.225 -0.898 . . . . 0.0 110.704 176.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1855 ' ' THR . . . . . 0.478 ' O ' ' HG2' ' A' 1859 ' ' ARG . 14.5 m -60.34 -26.75 66.81 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.556 -0.747 . . . . 0.0 111.051 -178.604 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1856 ' ' THR . . . . . 0.505 HG21 ' HG3' ' A' 1899 ' ' GLN . 1.2 m -71.51 -58.58 3.37 Favored 'General case' 0 N--CA 1.444 -0.745 0 N-CA-C 112.475 0.546 . . . . 0.0 112.475 -176.57 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1857 ' ' MET . . . . . 0.693 ' SD ' HD23 ' A' 1968 ' ' LEU . 5.9 ptp -76.94 -18.77 58.04 Favored 'General case' 0 C--N 1.331 -0.229 0 C-N-CA 120.292 -0.563 . . . . 0.0 111.958 -170.27 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1858 ' ' VAL . . . . . 0.465 ' O ' ' HG3' ' A' 1862 ' ' LYS . 23.9 m -66.63 -34.27 68.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 C-N-CA 119.683 -0.807 . . . . 0.0 109.216 173.111 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1859 ' ' ARG . . . . . 0.478 ' HG2' ' O ' ' A' 1855 ' ' THR . 25.7 mmm180 -69.99 -44.65 68.95 Favored 'General case' 0 CA--C 1.52 -0.182 0 CA-C-N 116.105 -0.498 . . . . 0.0 109.938 176.563 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1860 ' ' THR . . . . . . . . . . . . . 6.3 m -61.41 -41.05 96.54 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.846 179.483 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1861 ' ' ALA . . . . . . . . . . . . . . . -63.15 -42.21 99.4 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.442 -0.345 . . . . 0.0 110.88 178.287 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1862 ' ' LYS . . . . . 0.465 ' HG3' ' O ' ' A' 1858 ' ' VAL . 59.1 mttm -62.71 -36.48 83.08 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.291 177.333 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1863 ' ' ALA . . . . . . . . . . . . . . . -66.58 -44.7 81.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.299 178.733 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1864 ' ' ILE . . . . . . . . . . . . . 77.9 mt -60.56 -42.81 92.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.147 176.159 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1865 ' ' ALA . . . . . 0.698 ' HB3' HG23 ' A' 1961 ' ' VAL . . . -60.12 -40.4 89.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.891 -179.433 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1866 ' ' VAL . . . . . 0.648 ' HA ' ' HG2' ' A' 1869 ' ' GLN . 8.3 p -78.38 -29.73 15.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 C-N-CA 120.322 -0.551 . . . . 0.0 110.528 179.551 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1867 ' ' THR . . . . . 0.632 ' O ' ' HG3' ' A' 1871 ' ' MET . 62.7 m -65.35 -51.0 63.47 Favored 'General case' 0 C--N 1.332 -0.186 0 C-N-CA 120.996 -0.281 . . . . 0.0 110.412 174.812 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1868 ' ' VAL . . . . . 0.464 ' HA ' ' SD ' ' A' 1871 ' ' MET . 32.6 m -63.13 -36.19 74.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.473 -0.33 . . . . 0.0 111.023 -177.839 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1869 ' ' GLN . . . . . 0.648 ' HG2' ' HA ' ' A' 1866 ' ' VAL . 2.2 pt20 -72.58 -30.57 64.5 Favored 'General case' 0 N--CA 1.452 -0.351 0 C-N-CA 120.498 -0.481 . . . . 0.0 110.116 179.457 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1870 ' ' GLU . . . . . 0.643 ' O ' ' HG2' ' A' 1874 ' ' LYS . 24.9 mt-10 -60.97 -44.09 97.83 Favored 'General case' 0 CA--C 1.515 -0.376 0 N-CA-C 109.812 -0.44 . . . . 0.0 109.812 172.662 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1871 ' ' MET . . . . . 0.632 ' HG3' ' O ' ' A' 1867 ' ' THR . 35.5 mtp -57.94 -43.23 86.2 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.961 -177.444 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1872 ' ' VAL . . . . . 0.824 ' HB ' HG13 ' A' 1951 ' ' ILE . 1.5 m -69.12 -29.07 41.62 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.317 0 CA-C-O 121.479 0.657 . . . . 0.0 110.555 179.357 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1873 ' ' THR . . . . . . . . . . . . . 91.8 m -77.81 -45.77 23.48 Favored 'General case' 0 N--CA 1.443 -0.822 0 CA-C-N 114.882 -1.054 . . . . 0.0 110.98 -178.463 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1874 ' ' LYS . . . . . 0.643 ' HG2' ' O ' ' A' 1870 ' ' GLU . 33.8 mmtp -67.48 -31.61 71.86 Favored 'General case' 0 C--O 1.219 -0.537 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.241 -176.186 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1875 ' ' SER . . . . . . . . . . . . . 46.4 m -63.38 -5.81 4.03 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 112.232 0.456 . . . . 0.0 112.232 -176.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1876 ' ' ASN . . . . . . . . . . . . . 16.7 m120 -88.43 -23.78 23.21 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.751 -0.204 . . . . 0.0 111.133 179.142 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1877 ' ' THR . . . . . . . . . . . . . 16.9 p -136.83 -43.35 0.59 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.929 0.395 . . . . 0.0 111.788 -176.873 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1878 ' ' SER . . . . . 0.414 ' HB3' ' HG2' ' A' 1881 ' ' GLU . 64.5 m -111.41 90.77 12.63 Favored Pre-proline 0 C--N 1.322 -0.611 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.974 -176.66 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1879 ' ' PRO . . . . . 0.804 ' HA ' HD12 ' A' 1882 ' ' LEU . 12.3 Cg_endo -94.02 15.45 1.27 Allowed 'Trans proline' 0 N--CA 1.447 -1.25 0 C-N-CA 122.185 1.923 . . . . 0.0 111.769 176.677 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1880 ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -111.22 -17.72 13.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.959 -0.564 . . . . 0.0 112.314 179.6 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1881 ' ' GLU . . . . . 0.414 ' HG2' ' HB3' ' A' 1878 ' ' SER . 8.6 pt-20 -90.77 -10.83 41.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.137 0.494 . . . . 0.0 111.051 179.222 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1882 ' ' LEU . . . . . 0.804 HD12 ' HA ' ' A' 1879 ' ' PRO . 0.8 OUTLIER -59.61 -30.46 68.71 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 113.02 0.748 . . . . 0.0 113.02 -177.205 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A 1883 ' ' GLY . . . . . . . . . . . . . . . -57.01 -60.78 8.41 Favored Glycine 0 CA--C 1.519 0.33 0 C-N-CA 120.898 -0.667 . . . . 0.0 112.055 176.242 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1884 ' ' PRO . . . . . . . . . . . . . 71.0 Cg_exo -49.68 -44.08 37.29 Favored 'Trans proline' 0 C--N 1.347 0.451 0 C-N-CA 122.767 2.311 . . . . 0.0 112.454 171.668 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1885 ' ' LEU . . . . . 0.538 HD11 ' HG3' ' A' 1874 ' ' LYS . 64.9 mt -60.55 -41.37 94.38 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.799 0.333 . . . . 0.0 111.318 -179.788 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1886 ' ' ALA . . . . . 0.411 ' HB3' ' HB ' ' A' 1931 ' ' VAL . . . -64.22 -41.79 96.86 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.128 0.49 . . . . 0.0 110.372 177.527 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1887 ' ' ASN . . . . . . . . . . . . . 52.0 t30 -63.73 -39.02 93.27 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.84 -0.618 . . . . 0.0 109.864 176.313 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1888 ' ' GLN . . . . . . . . . . . . . 22.9 tp60 -61.23 -49.44 77.11 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.415 -0.811 . . . . 0.0 110.796 179.103 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1889 ' ' LEU . . . . . . . . . . . . . 1.1 tt -56.2 -49.86 72.89 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 176.753 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1890 ' ' THR . . . . . . . . . . . . . 82.2 m -57.44 -37.61 73.09 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.005 -0.998 . . . . 0.0 111.533 -179.451 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1891 ' ' SER . . . . . . . . . . . . . 52.5 m -67.29 -45.38 76.74 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.552 -177.613 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1892 ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -77.2 -25.3 51.63 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 112.198 0.444 . . . . 0.0 112.198 -175.504 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1893 ' ' TYR . . . . . . . . . . . . . 47.7 t80 -60.03 -39.53 86.17 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 120.366 -0.534 . . . . 0.0 110.424 174.781 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1894 ' ' GLY . . . . . . . . . . . . . . . -60.48 -35.99 90.22 Favored Glycine 0 C--O 1.229 -0.211 0 C-N-CA 120.961 -0.638 . . . . 0.0 111.957 178.461 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1895 ' ' ARG . . . . . . . . . . . . . 10.3 ttm180 -67.99 -45.89 72.85 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.277 0.561 . . . . 0.0 109.786 177.259 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1896 ' ' LEU . . . . . 0.516 HD12 HG11 ' A' 1964 ' ' VAL . 43.0 tp -59.66 -57.08 14.48 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.118 -0.946 . . . . 0.0 111.847 -178.445 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1897 ' ' ALA . . . . . . . . . . . . . . . -64.68 -24.43 67.57 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.951 -0.568 . . . . 0.0 112.398 -172.582 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1898 ' ' SER . . . . . . . . . . . . . 67.8 m -80.22 -31.17 38.62 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.898 0.38 . . . . 0.0 110.84 -173.696 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1899 ' ' GLN . . . . . 0.766 ' HA ' HE21 ' A' 1899 ' ' GLN . 0.0 OUTLIER -79.18 -6.26 56.15 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.852 -179.474 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A 1900 ' ' ALA . . . . . . . . . . . . . . . -72.15 -30.87 65.44 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.684 177.197 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1901 ' ' LYS . . . . . . . . . . . . . 56.5 tptt -62.43 -58.23 18.32 Favored Pre-proline 0 CA--C 1.538 0.504 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.701 -178.636 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1902 ' ' PRO . . . . . . . . . . . . . 48.7 Cg_endo -68.75 -23.01 36.27 Favored 'Trans proline' 0 C--N 1.355 0.907 0 C-N-CA 121.852 1.701 . . . . 0.0 112.453 -178.747 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1903 ' ' ALA . . . . . . . . . . . . . . . -76.29 -39.48 54.11 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.95 179.606 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1904 ' ' ALA . . . . . . . . . . . . . . . -72.84 -31.69 64.95 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.839 -175.385 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1905 ' ' VAL . . . . . . . . . . . . . 35.2 m -82.37 -21.18 9.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.984 179.522 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1906 ' ' ALA . . . . . . . . . . . . . . . -82.28 -39.7 22.57 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.878 0.37 . . . . 0.0 110.294 177.19 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1907 ' ' ALA . . . . . . . . . . . . . . . -64.84 117.54 7.69 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.943 179.097 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1908 ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -65.4 -40.24 93.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.673 -0.694 . . . . 0.0 111.401 179.791 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1909 ' ' ASN . . . . . 0.736 ' HB3' HG13 ' A' 1912 ' ' ILE . 49.1 t-20 -74.43 129.05 37.05 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.026 -178.071 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1910 ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -47.83 -50.45 26.13 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.335 -0.848 . . . . 0.0 111.791 178.481 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1911 ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -70.06 -31.72 69.47 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.777 -0.647 . . . . 0.0 112.542 -170.121 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1912 ' ' ILE . . . . . 0.736 HG13 ' HB3' ' A' 1909 ' ' ASN . 62.1 mt -55.35 -54.5 24.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 C-N-CA 120.735 -0.386 . . . . 0.0 110.791 -177.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1913 ' ' GLY . . . . . . . . . . . . . . . -73.46 -32.84 59.32 Favored Glycine 0 N--CA 1.447 -0.572 0 C-N-CA 120.646 -0.788 . . . . 0.0 112.034 -178.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1914 ' ' ALA . . . . . . . . . . . . . . . -66.09 -41.64 90.39 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.733 0.302 . . . . 0.0 110.347 -178.709 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1915 ' ' HIS . . . . . 0.629 ' O ' ' HG2' ' A' 1919 ' ' ARG . 60.0 m-70 -60.38 -50.44 73.58 Favored 'General case' 0 CA--C 1.515 -0.378 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.652 178.79 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1916 ' ' ILE . . . . . . . . . . . . . 85.7 mt -50.93 -53.2 14.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.643 178.214 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1917 ' ' LYS . . . . . 0.479 ' HA ' HG21 ' A' 1920 ' ' VAL . 18.8 mtpp -63.32 -36.43 83.66 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.463 -0.789 . . . . 0.0 111.928 -178.212 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1918 ' ' HIS . . . . . . . . . . . . . 40.4 m-70 -69.12 -30.83 69.19 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.998 0.428 . . . . 0.0 111.499 178.375 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1919 ' ' ARG . . . . . 0.629 ' HG2' ' O ' ' A' 1915 ' ' HIS . 0.3 OUTLIER -81.84 -37.64 26.7 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.589 -0.278 . . . . 0.0 111.095 -177.658 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A 1920 ' ' VAL . . . . . 0.479 HG21 ' HA ' ' A' 1917 ' ' LYS . 30.2 m -68.45 -27.27 35.96 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.172 0 N-CA-C 109.787 -0.449 . . . . 0.0 109.787 174.621 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1921 ' ' GLN . . . . . . . . . . . . . 30.4 mt-30 -58.39 -54.07 51.12 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-O 121.211 0.529 . . . . 0.0 110.233 170.369 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1922 ' ' GLU . . . . . 0.99 ' HB3' ' HD3' ' A' 1960 ' ' LYS . 51.9 mm-40 -56.51 -40.28 74.75 Favored 'General case' 0 N--CA 1.45 -0.45 0 CA-C-N 115.372 -0.831 . . . . 0.0 111.213 -179.628 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1923 ' ' LEU . . . . . . . . . . . . . 66.9 mt -73.0 -27.71 61.94 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.092 -0.503 . . . . 0.0 111.486 179.313 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1924 ' ' GLY . . . . . . . . . . . . . . . -62.24 -57.57 16.36 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.665 -0.779 . . . . 0.0 112.31 -179.864 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1925 ' ' HIS . . . . . 0.451 ' NE2' ' HA ' ' A' 1922 ' ' GLU . 2.6 p-80 -78.46 -18.44 54.87 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.801 0.334 . . . . 0.0 111.326 178.218 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1926 ' ' GLY . . . . . . . . . . . . . . . -76.06 -48.73 9.38 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.758 179.141 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1927 ' ' CYS . . . . . . . . . . . . . 63.4 m -69.06 -32.67 72.31 Favored 'General case' 0 C--N 1.329 -0.324 0 O-C-N 122.763 -0.257 . . . . 0.0 111.155 -177.365 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1928 ' ' SER . . . . . . . . . . . . . 13.4 p -63.99 -23.64 67.41 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.903 0.382 . . . . 0.0 110.787 179.801 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1929 ' ' ALA . . . . . . . . . . . . . . . -77.39 -43.85 31.3 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.131 0.491 . . . . 0.0 110.105 176.079 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1930 ' ' LEU . . . . . 0.432 ' HG ' ' HB3' ' A' 1953 ' ' CYS . 0.5 OUTLIER -62.73 -47.88 81.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.465 -178.373 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A 1931 ' ' VAL . . . . . 0.411 ' HB ' ' HB3' ' A' 1886 ' ' ALA . 31.5 m -62.91 -30.84 50.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.505 -0.316 . . . . 0.0 111.35 -176.533 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1932 ' ' THR . . . . . . . . . . . . . 75.5 m -71.59 -42.7 67.41 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.507 -0.315 . . . . 0.0 110.602 175.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1933 ' ' LYS . . . . . . . . . . . . . 33.9 mmtp -66.99 -36.55 82.42 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.653 -0.249 . . . . 0.0 110.771 179.084 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1934 ' ' ALA . . . . . . . . . . . . . . . -59.17 -51.15 71.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.554 175.732 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1935 ' ' GLY . . . . . . . . . . . . . . . -63.33 -37.08 94.29 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.832 -0.699 . . . . 0.0 112.166 178.005 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1936 ' ' ALA . . . . . . . . . . . . . . . -65.84 -47.3 75.43 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.507 0.194 . . . . 0.0 111.157 179.846 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1937 ' ' LEU . . . . . 0.445 ' HB2' HG21 ' A' 1946 ' ' THR . 29.8 tp -67.48 -32.15 72.78 Favored 'General case' 0 CA--C 1.514 -0.422 0 CA-C-O 121.278 0.561 . . . . 0.0 110.095 178.406 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1938 ' ' GLN . . . . . 0.471 ' HG3' ' O ' ' A' 1879 ' ' PRO . 28.6 tt0 -66.69 -31.09 71.53 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.746 179.813 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1939 ' ' CYS . . . . . . . . . . . . . 60.4 m -86.43 -22.13 26.7 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.813 177.147 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1940 ' ' SER . . . . . . . . . . . . . 67.3 m -138.98 79.7 26.23 Favored Pre-proline 0 C--N 1.326 -0.418 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.746 178.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1941 ' ' PRO . . . . . . . . . . . . . 43.4 Cg_endo -69.62 -14.52 36.66 Favored 'Trans proline' 0 C--N 1.343 0.268 0 C-N-CA 122.578 2.185 . . . . 0.0 112.302 -177.723 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1942 ' ' SER . . . . . . . . . . . . . 14.8 m -86.26 -10.2 55.03 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.056 -178.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1943 ' ' ASP . . . . . . . . . . . . . 12.9 t70 -84.63 110.31 18.64 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 179.162 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1944 ' ' VAL . . . . . 0.535 ' O ' ' HG2' ' A' 1948 ' ' LYS . 12.0 p -75.64 -32.71 25.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.244 -174.075 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1945 ' ' TYR . . . . . . . . . . . . . 69.4 m-85 -71.99 -36.4 69.76 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.666 0.269 . . . . 0.0 111.147 -174.86 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1946 ' ' THR . . . . . 0.445 HG21 ' HB2' ' A' 1937 ' ' LEU . 95.7 m -60.62 -39.29 87.68 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.136 0.493 . . . . 0.0 109.793 172.789 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1947 ' ' LYS . . . . . . . . . . . . . 31.7 ttpt -68.34 -42.55 79.12 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.381 -0.827 . . . . 0.0 110.525 179.272 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1948 ' ' LYS . . . . . 0.535 ' HG2' ' O ' ' A' 1944 ' ' VAL . 9.0 mmpt? -53.93 -54.28 41.05 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.732 -179.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1949 ' ' GLU . . . . . . . . . . . . . 35.9 mm-40 -65.27 -25.57 67.71 Favored 'General case' 0 C--O 1.221 -0.4 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.796 -179.007 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1950 ' ' LEU . . . . . 0.631 HD11 HD21 ' A' 1882 ' ' LEU . 7.1 tt -65.48 -50.81 63.92 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 177.022 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1951 ' ' ILE . . . . . 0.824 HG13 ' HB ' ' A' 1872 ' ' VAL . 1.8 mp -61.95 -48.86 86.6 Favored 'Isoleucine or valine' 0 C--O 1.236 0.345 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.088 177.095 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1952 ' ' GLU . . . . . 0.586 ' O ' ' HG3' ' A' 1956 ' ' ARG . 30.4 mm-40 -59.39 -45.98 89.94 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.48 -179.577 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1953 ' ' CYS . . . . . 0.432 ' HB3' ' HG ' ' A' 1930 ' ' LEU . 25.4 t -61.25 -39.61 91.0 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.479 0.181 . . . . 0.0 111.061 -177.343 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1954 ' ' ALA . . . . . 0.451 ' HB3' ' HB ' ' A' 1868 ' ' VAL . . . -64.87 -41.98 95.22 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.803 0.335 . . . . 0.0 111.193 -179.302 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1955 ' ' ARG . . . . . 0.66 ' HA ' ' HG ' ' A' 1958 ' ' SER . 0.0 OUTLIER -73.69 -23.38 59.8 Favored 'General case' 0 C--N 1.325 -0.471 0 C-N-CA 120.757 -0.377 . . . . 0.0 110.382 178.278 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A 1956 ' ' ARG . . . . . 0.586 ' HG3' ' O ' ' A' 1952 ' ' GLU . 84.0 mtt180 -70.3 -46.9 63.36 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.903 0.383 . . . . 0.0 110.382 174.49 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1957 ' ' VAL . . . . . 0.434 ' O ' HG13 ' A' 1961 ' ' VAL . 21.1 m -78.19 -25.98 14.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 N-CA-C 111.865 0.32 . . . . 0.0 111.865 -176.666 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1958 ' ' SER . . . . . 0.66 ' HG ' ' HA ' ' A' 1955 ' ' ARG . 8.3 p -66.41 -28.41 68.6 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 120.996 -0.282 . . . . 0.0 110.82 179.708 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1959 ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -65.93 -38.55 88.95 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 171.16 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1960 ' ' LYS . . . . . 0.99 ' HD3' ' HB3' ' A' 1922 ' ' GLU . 66.4 mttm -70.36 -37.1 74.55 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.17 -176.168 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1961 ' ' VAL . . . . . 0.698 HG23 ' HB3' ' A' 1865 ' ' ALA . 2.7 m -66.1 -31.59 54.35 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.192 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 175.356 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1962 ' ' SER . . . . . 0.563 ' HA ' HD11 ' A' 1965 ' ' LEU . 49.3 m -71.32 -24.85 62.2 Favored 'General case' 0 N--CA 1.451 -0.408 0 CA-C-N 115.458 -0.792 . . . . 0.0 110.138 177.85 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1963 ' ' HIS . . . . . . . . . . . . . 33.2 m170 -77.69 -31.41 52.42 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.845 -0.616 . . . . 0.0 109.988 177.797 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1964 ' ' VAL . . . . . 0.516 HG11 HD12 ' A' 1896 ' ' LEU . 72.6 t -59.26 -50.1 81.05 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.205 0 N-CA-C 108.791 -0.818 . . . . 0.0 108.791 171.753 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1965 ' ' LEU . . . . . 0.563 HD11 ' HA ' ' A' 1962 ' ' SER . 37.2 mt -49.69 -47.38 50.34 Favored 'General case' 0 CA--C 1.532 0.261 0 CA-C-N 115.48 -0.782 . . . . 0.0 111.092 179.261 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1966 ' ' ALA . . . . . . . . . . . . . . . -64.75 -34.48 78.42 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.71 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1967 ' ' ALA . . . . . . . . . . . . . . . -64.68 -43.47 93.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.508 -0.314 . . . . 0.0 111.352 -178.805 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1968 ' ' LEU . . . . . 0.991 ' HB3' ' HG3' ' A' 1854 ' ' GLN . 2.7 mm? -65.54 -39.12 91.38 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-O 121.169 0.509 . . . . 0.0 110.568 178.677 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1969 ' ' GLN . . . . . . . . . . . . . 72.1 mt-30 -82.27 10.69 6.46 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.033 -176.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1970 ' ' ALA . . . . . . . . . . . . . . . -101.27 121.44 41.88 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.753 179.446 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1971 ' ' GLY . . . . . . . . . . . . . . . -115.56 -36.11 1.22 Allowed Glycine 0 N--CA 1.447 -0.601 0 N-CA-C 110.561 -1.016 . . . . 0.0 110.561 172.211 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1972 ' ' ASN . . . . . . . . . . . . . 25.4 t-20 -158.73 -36.61 0.06 Allowed 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 114.739 -0.731 . . . . 0.0 109.049 176.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1973 ' ' ARG . . . . . . . . . . . . . 36.4 mmt180 . . . . . 0 C--O 1.249 1.069 0 CA-C-O 118.301 -0.857 . . . . 0.0 109.761 177.502 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A 1837 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.64 0 N-CA-C 112.257 -0.337 . . . . 0.0 112.257 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A 1838 ' ' ILE . . . . . 0.51 HG23 ' HE1' ' A' 1843 ' ' MET . 14.0 tt -142.28 153.38 18.24 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 N-CA-C 109.9 -0.407 . . . . 0.0 109.9 -179.561 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1839 ' ' ASP . . . . . 0.413 ' HB3' ' HD2' ' A' 1841 ' ' PHE . 41.6 m-20 -64.73 135.17 96.27 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-O 120.74 0.305 . . . . 0.0 110.794 -179.624 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1840 ' ' PRO . . . . . 0.684 ' HA ' ' SD ' ' A' 1843 ' ' MET . 74.1 Cg_endo -75.11 20.13 0.48 Allowed 'Trans proline' 0 C--O 1.233 0.265 0 C-N-CA 123.058 2.505 . . . . 0.0 113.544 -175.347 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1841 ' ' PHE . . . . . 0.413 ' HD2' ' HB3' ' A' 1839 ' ' ASP . 85.8 m-85 -83.56 -19.64 35.24 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.909 0.385 . . . . 0.0 110.772 -179.776 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1842 ' ' THR . . . . . . . . . . . . . 18.2 p -89.87 -5.93 56.33 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.002 178.643 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1843 ' ' MET . . . . . 0.684 ' SD ' ' HA ' ' A' 1840 ' ' PRO . 1.0 OUTLIER -78.9 -59.67 2.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.04 -179.012 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A 1844 ' ' GLY . . . . . . . . . . . . . . . -75.46 90.71 0.84 Allowed Glycine 0 N--CA 1.447 -0.614 0 C-N-CA 120.667 -0.777 . . . . 0.0 111.746 -179.388 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1845 ' ' ASP . . . . . . . . . . . . . 20.1 m-20 -66.79 114.55 18.25 Favored Pre-proline 0 C--N 1.327 -0.383 0 CA-C-O 120.801 0.334 . . . . 0.0 110.747 -179.403 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1846 ' ' PRO . . . . . . . . . . . . . 96.6 Cg_endo -91.63 -12.09 2.14 Favored 'Trans proline' 0 N--CA 1.451 -0.973 0 C-N-CA 122.732 2.288 . . . . 0.0 112.439 178.633 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1847 ' ' GLU . . . . . 0.502 ' HB3' ' HG2' ' A' 1908 ' ' GLU . 8.4 pt-20 31.16 76.79 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.363 0 O-C-N 124.667 1.23 . . . . 0.0 112.02 -172.637 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1848 ' ' GLY . . . . . . . . . . . . . . . 79.92 -141.79 23.76 Favored Glycine 0 N--CA 1.445 -0.753 0 CA-C-N 114.941 -1.027 . . . . 0.0 111.034 -175.033 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1849 ' ' SER . . . . . . . . . . . . . 3.3 p -103.13 23.65 12.04 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-O 121.512 0.672 . . . . 0.0 109.832 174.891 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1850 ' ' PHE . . . . . 0.411 ' HE1' HD12 ' A' 1916 ' ' ILE . 86.3 t80 -54.79 -30.11 56.09 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 114.736 -1.12 . . . . 0.0 111.576 -178.502 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1851 ' ' VAL . . . . . . . . . . . . . 35.2 m -54.9 -36.54 38.12 Favored 'Isoleucine or valine' 0 C--O 1.235 0.304 0 N-CA-C 112.227 0.454 . . . . 0.0 112.227 -178.346 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1852 ' ' ASP . . . . . . . . . . . . . 36.1 t70 -79.54 -47.94 14.69 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.839 0.352 . . . . 0.0 110.547 -177.214 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1853 ' ' TYR . . . . . 0.59 ' O ' ' HG2' ' A' 1857 ' ' MET . 56.1 m-85 -61.68 -39.89 93.04 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.353 -179.599 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1854 ' ' GLN . . . . . 0.786 ' HG3' ' HB3' ' A' 1968 ' ' LEU . 26.9 tt0 -53.39 -51.6 62.02 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.558 174.419 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1855 ' ' THR . . . . . 0.633 ' O ' ' HG2' ' A' 1859 ' ' ARG . 40.4 m -68.31 -36.87 79.96 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.732 -0.667 . . . . 0.0 112.042 -174.642 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1856 ' ' THR . . . . . 0.511 HG23 ' HA ' ' A' 1853 ' ' TYR . 13.8 t -72.42 -45.45 59.59 Favored 'General case' 0 CA--C 1.538 0.495 0 N-CA-C 112.248 0.462 . . . . 0.0 112.248 -173.35 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1857 ' ' MET . . . . . 0.59 ' HG2' ' O ' ' A' 1853 ' ' TYR . 11.5 ptm -79.01 -21.47 46.92 Favored 'General case' 0 C--N 1.33 -0.254 0 O-C-N 122.068 -0.395 . . . . 0.0 112.031 -172.485 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1858 ' ' VAL . . . . . 0.469 HG13 ' O ' ' A' 1854 ' ' GLN . 26.4 m -69.51 -29.28 41.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 C-N-CA 119.864 -0.734 . . . . 0.0 109.61 174.105 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1859 ' ' ARG . . . . . 0.633 ' HG2' ' O ' ' A' 1855 ' ' THR . 15.9 mmt180 -71.32 -41.49 69.79 Favored 'General case' 0 C--O 1.233 0.188 0 N-CA-C 109.491 -0.559 . . . . 0.0 109.491 176.475 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1860 ' ' THR . . . . . . . . . . . . . 3.6 m -61.41 -42.73 99.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.458 -0.792 . . . . 0.0 110.798 179.787 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1861 ' ' ALA . . . . . 0.441 ' HB2' ' HB ' ' A' 1961 ' ' VAL . . . -57.78 -39.24 77.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.13 179.773 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1862 ' ' LYS . . . . . . . . . . . . . 51.1 mttm -66.83 -37.38 84.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.675 179.583 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1863 ' ' ALA . . . . . . . . . . . . . . . -72.44 -34.81 68.06 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.536 179.784 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1864 ' ' ILE . . . . . 0.588 ' O ' HG12 ' A' 1868 ' ' VAL . 68.6 mt -65.33 -46.31 90.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.105 174.355 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1865 ' ' ALA . . . . . 0.775 ' HB3' HG21 ' A' 1961 ' ' VAL . . . -57.7 -51.35 69.89 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.681 -179.017 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1866 ' ' VAL . . . . . 0.484 ' O ' ' HG3' ' A' 1870 ' ' GLU . 11.7 p -61.4 -31.24 49.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 C-N-CA 120.866 -0.334 . . . . 0.0 110.739 -179.751 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1867 ' ' THR . . . . . 0.664 ' O ' ' HG3' ' A' 1871 ' ' MET . 96.2 m -66.25 -52.33 48.71 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.625 -0.261 . . . . 0.0 110.875 177.62 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1868 ' ' VAL . . . . . 0.588 HG12 ' O ' ' A' 1864 ' ' ILE . 2.5 m -63.36 -30.67 50.36 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.331 0 CA-C-O 121.75 0.786 . . . . 0.0 110.069 -178.786 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1869 ' ' GLN . . . . . . . . . . . . . 5.6 tp-100 -75.56 -28.33 58.96 Favored 'General case' 0 N--CA 1.429 -1.489 0 CA-C-N 114.788 -1.096 . . . . 0.0 110.231 -179.87 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1870 ' ' GLU . . . . . 0.484 ' HG3' ' O ' ' A' 1866 ' ' VAL . 48.3 mt-10 -72.29 -41.71 66.33 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 109.954 -0.387 . . . . 0.0 109.954 170.929 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1871 ' ' MET . . . . . 0.664 ' HG3' ' O ' ' A' 1867 ' ' THR . 46.1 mtp -57.7 -42.99 84.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.261 -176.769 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1872 ' ' VAL . . . . . . . . . . . . . 27.0 m -73.13 -29.31 28.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.792 0.329 . . . . 0.0 111.624 178.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1873 ' ' THR . . . . . . . . . . . . . 95.7 m -76.71 -41.29 45.75 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.056 0.455 . . . . 0.0 110.914 179.866 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1874 ' ' LYS . . . . . 0.659 ' HD2' ' HG3' ' A' 1881 ' ' GLU . 70.4 mmtt -70.57 -43.41 69.5 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.108 -178.852 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1875 ' ' SER . . . . . 0.549 ' HB3' HD13 ' A' 1882 ' ' LEU . 12.4 p -57.12 -20.63 26.87 Favored 'General case' 0 N--CA 1.465 0.301 0 N-CA-C 113.107 0.781 . . . . 0.0 113.107 -171.878 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1876 ' ' ASN . . . . . . . . . . . . . 92.1 m-20 -61.0 -36.33 79.22 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.783 0.325 . . . . 0.0 111.274 179.148 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1877 ' ' THR . . . . . . . . . . . . . 37.0 p -129.05 -38.54 1.62 Allowed 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.063 0.459 . . . . 0.0 111.644 -177.611 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1878 ' ' SER . . . . . . . . . . . . . 50.2 m -112.8 104.68 55.97 Favored Pre-proline 0 C--N 1.322 -0.611 0 CA-C-N 115.837 -0.619 . . . . 0.0 111.764 -171.742 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1879 ' ' PRO . . . . . 0.799 ' HA ' HD12 ' A' 1882 ' ' LEU . 53.1 Cg_endo -90.03 -8.06 4.25 Favored 'Trans proline' 0 N--CA 1.442 -1.514 0 C-N-CA 121.971 1.781 . . . . 0.0 111.841 171.929 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1880 ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 -73.24 -32.37 64.68 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.6 177.353 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1881 ' ' GLU . . . . . 0.659 ' HG3' ' HD2' ' A' 1874 ' ' LYS . 9.6 mm-40 -70.46 -14.6 62.6 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.542 -178.7 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1882 ' ' LEU . . . . . 0.799 HD12 ' HA ' ' A' 1879 ' ' PRO . 1.7 mt -84.69 -4.33 58.97 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.468 -0.787 . . . . 0.0 112.722 -169.571 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1883 ' ' GLY . . . . . . . . . . . . . . . -76.06 -60.77 3.02 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.438 -0.886 . . . . 0.0 111.269 174.196 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1884 ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -55.5 -42.3 69.29 Favored 'Trans proline' 0 C--N 1.349 0.576 0 C-N-CA 122.751 2.3 . . . . 0.0 112.18 175.427 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1885 ' ' LEU . . . . . 0.487 ' HB3' ' HG2' ' A' 1871 ' ' MET . 43.1 mt -60.4 -40.22 90.18 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.813 -178.447 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1886 ' ' ALA . . . . . . . . . . . . . . . -65.74 -45.22 83.42 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.981 0.42 . . . . 0.0 110.67 179.767 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1887 ' ' ASN . . . . . . . . . . . . . 92.9 m-20 -65.56 -35.19 80.13 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.077 0.465 . . . . 0.0 110.304 177.205 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1888 ' ' GLN . . . . . . . . . . . . . 33.5 tp60 -64.85 -49.58 70.02 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.58 -0.737 . . . . 0.0 110.792 179.57 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1889 ' ' LEU . . . . . 0.466 HD11 ' SD ' ' A' 1871 ' ' MET . 0.8 OUTLIER -57.94 -45.25 86.88 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 109.546 -0.538 . . . . 0.0 109.546 177.441 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A 1890 ' ' THR . . . . . . . . . . . . . 87.7 m -59.67 -44.58 93.55 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.612 -0.722 . . . . 0.0 111.386 179.423 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1891 ' ' SER . . . . . . . . . . . . . 21.0 t -68.44 -45.87 71.36 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.844 -178.551 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1892 ' ' ASP . . . . . 0.48 ' HB3' HG12 ' A' 1864 ' ' ILE . 0.1 OUTLIER -65.95 -40.14 91.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.525 -0.307 . . . . 0.0 110.93 -177.79 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A 1893 ' ' TYR . . . . . . . . . . . . . 27.4 t80 -60.09 -43.9 95.18 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.626 0.251 . . . . 0.0 110.699 176.031 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1894 ' ' GLY . . . . . . . . . . . . . . . -58.01 -36.54 81.62 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.849 -0.691 . . . . 0.0 111.763 179.104 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1895 ' ' ARG . . . . . . . . . . . . . 41.6 ttm105 -69.18 -46.91 66.34 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.001 0.429 . . . . 0.0 110.141 176.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1896 ' ' LEU . . . . . 0.462 HD22 HD13 ' A' 1864 ' ' ILE . 57.8 tp -57.76 -47.33 82.82 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.986 179.307 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1897 ' ' ALA . . . . . . . . . . . . . . . -64.69 -24.06 67.45 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.328 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1898 ' ' SER . . . . . . . . . . . . . 35.0 t -79.46 -21.16 45.81 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.585 0.707 . . . . 0.0 109.547 -177.29 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1899 ' ' GLN . . . . . . . . . . . . . 10.6 mt-30 -95.36 -16.78 22.11 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.106 -0.952 . . . . 0.0 110.483 -177.887 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1900 ' ' ALA . . . . . 0.404 ' HA ' ' HE1' ' A' 1857 ' ' MET . . . -74.5 -31.21 62.1 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.767 -0.652 . . . . 0.0 110.643 176.665 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1901 ' ' LYS . . . . . 0.677 ' HB3' ' HD3' ' A' 1902 ' ' PRO . 24.1 tptm -59.24 -57.71 24.97 Favored Pre-proline 0 CA--C 1.54 0.571 0 CA-C-N 115.355 -0.838 . . . . 0.0 112.107 -177.581 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1902 ' ' PRO . . . . . 0.677 ' HD3' ' HB3' ' A' 1901 ' ' LYS . 4.9 Cg_exo -77.7 -20.21 12.2 Favored 'Trans proline' 0 C--N 1.353 0.806 0 C-N-CA 121.891 1.727 . . . . 0.0 112.362 -176.508 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1903 ' ' ALA . . . . . . . . . . . . . . . -72.08 -36.59 69.56 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.871 0.367 . . . . 0.0 110.623 179.803 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1904 ' ' ALA . . . . . . . . . . . . . . . -72.77 -32.69 65.81 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.739 -176.47 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1905 ' ' VAL . . . . . . . . . . . . . 34.7 m -85.23 -26.92 6.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 115.923 -0.58 . . . . 0.0 111.244 -179.163 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1906 ' ' ALA . . . . . . . . . . . . . . . -74.3 -45.96 44.23 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.558 0.218 . . . . 0.0 110.79 179.094 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1907 ' ' ALA . . . . . . . . . . . . . . . -57.36 137.8 55.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.304 -179.294 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1908 ' ' GLU . . . . . 0.502 ' HG2' ' HB3' ' A' 1847 ' ' GLU . 9.3 pt-20 -93.61 -12.4 29.55 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.158 0.504 . . . . 0.0 110.486 -179.353 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1909 ' ' ASN . . . . . . . . . . . . . 42.6 m-80 -86.02 130.98 34.37 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.352 177.837 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1910 ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -56.23 -50.87 70.04 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.845 178.719 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1911 ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -63.82 -39.8 95.08 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.48 -0.782 . . . . 0.0 111.966 -173.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1912 ' ' ILE . . . . . 0.549 ' O ' HG13 ' A' 1916 ' ' ILE . 53.8 mt -59.24 -53.68 44.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 C-N-CA 120.66 -0.416 . . . . 0.0 110.275 -179.861 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1913 ' ' GLY . . . . . . . . . . . . . . . -59.72 -32.36 73.97 Favored Glycine 0 C--N 1.33 0.239 0 C-N-CA 120.973 -0.632 . . . . 0.0 112.425 -179.885 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1914 ' ' ALA . . . . . . . . . . . . . . . -74.81 -46.26 37.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.656 0.265 . . . . 0.0 110.738 179.613 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1915 ' ' HIS . . . . . 0.658 ' O ' ' HG2' ' A' 1919 ' ' ARG . 67.8 m-70 -63.03 -45.16 93.59 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.332 -177.586 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1916 ' ' ILE . . . . . 0.549 HG13 ' O ' ' A' 1912 ' ' ILE . 98.9 mt -50.96 -56.37 4.82 Favored 'Isoleucine or valine' 0 C--O 1.234 0.245 0 CA-C-O 121.133 0.492 . . . . 0.0 111.375 -178.772 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1917 ' ' LYS . . . . . 0.456 ' HA ' HG22 ' A' 1920 ' ' VAL . 56.8 mtmt -73.8 -24.82 59.87 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.316 -177.336 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1918 ' ' HIS . . . . . 0.473 ' O ' ' HB3' ' A' 1921 ' ' GLN . 8.3 t-80 -69.37 -31.65 70.18 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.951 0.405 . . . . 0.0 110.227 178.895 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1919 ' ' ARG . . . . . 0.658 ' HG2' ' O ' ' A' 1915 ' ' HIS . 24.6 mmt180 -75.68 -49.16 19.16 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.675 -178.225 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1920 ' ' VAL . . . . . 0.456 HG22 ' HA ' ' A' 1917 ' ' LYS . 32.7 m -66.63 -24.21 32.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 121.094 0.474 . . . . 0.0 110.208 178.269 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1921 ' ' GLN . . . . . 0.473 ' HB3' ' O ' ' A' 1918 ' ' HIS . 40.1 tt0 -54.24 -53.73 49.63 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.894 175.638 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1922 ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -75.41 -32.62 60.81 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.196 -177.367 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1923 ' ' LEU . . . . . . . . . . . . . 30.9 mt -61.84 -30.51 70.89 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.261 178.051 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1924 ' ' GLY . . . . . . . . . . . . . . . -62.25 -41.6 99.72 Favored Glycine 0 N--CA 1.449 -0.456 0 C-N-CA 120.789 -0.72 . . . . 0.0 111.975 177.382 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1925 ' ' HIS . . . . . . . . . . . . . 23.5 m170 -70.46 -44.44 67.77 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.737 -0.468 . . . . 0.0 109.737 178.771 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1926 ' ' GLY . . . . . 0.433 ' O ' ' HB2' ' A' 1930 ' ' LEU . . . -62.67 -38.86 97.13 Favored Glycine 0 N--CA 1.447 -0.603 0 CA-C-N 115.748 -0.66 . . . . 0.0 112.195 179.621 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1927 ' ' CYS . . . . . . . . . . . . . 53.6 t -63.64 -52.61 60.06 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.541 0.21 . . . . 0.0 110.447 177.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1928 ' ' SER . . . . . . . . . . . . . 62.5 p -63.08 -34.39 77.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.043 -176.875 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1929 ' ' ALA . . . . . . . . . . . . . . . -72.8 -48.75 35.37 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.466 -0.333 . . . . 0.0 111.043 178.788 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1930 ' ' LEU . . . . . 0.444 ' HG ' ' HB3' ' A' 1953 ' ' CYS . 0.4 OUTLIER -61.47 -46.11 91.41 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.122 -175.28 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A 1931 ' ' VAL . . . . . . . . . . . . . 23.4 m -64.55 -28.91 45.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.851 0.358 . . . . 0.0 111.063 -177.594 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1932 ' ' THR . . . . . . . . . . . . . 30.9 m -76.05 -41.0 52.09 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.281 177.194 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1933 ' ' LYS . . . . . . . . . . . . . 75.1 mmtt -64.62 -37.34 87.24 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.026 0.441 . . . . 0.0 110.152 176.629 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1934 ' ' ALA . . . . . . . . . . . . . . . -61.63 -50.54 72.16 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.506 176.473 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1935 ' ' GLY . . . . . . . . . . . . . . . -65.24 -33.45 86.85 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.881 -0.676 . . . . 0.0 112.319 178.584 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1936 ' ' ALA . . . . . . . . . . . . . . . -65.44 -48.25 73.37 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.758 0.313 . . . . 0.0 110.664 177.719 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1937 ' ' LEU . . . . . . . . . . . . . 24.4 tp -66.99 -31.98 72.92 Favored 'General case' 0 CA--C 1.513 -0.464 0 CA-C-O 121.148 0.499 . . . . 0.0 110.407 178.77 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1938 ' ' GLN . . . . . 0.521 ' HA ' ' HB2' ' A' 1879 ' ' PRO . 37.6 tt0 -68.37 -26.91 65.81 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.142 178.928 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1939 ' ' CYS . . . . . . . . . . . . . 42.2 t -82.97 -35.61 25.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.364 176.105 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1940 ' ' SER . . . . . . . . . . . . . 74.9 m -128.27 83.28 66.58 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.916 177.313 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1941 ' ' PRO . . . . . 0.621 ' HB3' ' HG3' ' A' 1879 ' ' PRO . 51.7 Cg_endo -70.56 -21.35 29.91 Favored 'Trans proline' 0 C--N 1.343 0.288 0 C-N-CA 122.522 2.148 . . . . 0.0 112.691 -175.918 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1942 ' ' SER . . . . . . . . . . . . . 32.2 m -85.04 -1.82 57.27 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.335 -177.021 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1943 ' ' ASP . . . . . . . . . . . . . 23.5 t70 -94.93 111.59 23.37 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.895 0.379 . . . . 0.0 110.263 179.428 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1944 ' ' VAL . . . . . . . . . . . . . 9.8 p -75.68 -28.61 19.71 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.716 -176.671 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1945 ' ' TYR . . . . . 0.445 ' O ' ' HG3' ' A' 1949 ' ' GLU . 66.5 m-85 -64.88 -43.2 93.69 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.735 -177.24 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1946 ' ' THR . . . . . . . . . . . . . 85.5 m -59.06 -41.01 86.92 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.405 174.838 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1947 ' ' LYS . . . . . 0.449 ' HG3' ' HB2' ' A' 1875 ' ' SER . 11.7 ttpp -67.41 -37.93 83.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.163 179.477 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1948 ' ' LYS . . . . . 0.455 ' HE2' ' HA ' ' A' 1948 ' ' LYS . 7.6 mmpt? -58.2 -49.81 75.75 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.434 178.816 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1949 ' ' GLU . . . . . 0.445 ' HG3' ' O ' ' A' 1945 ' ' TYR . 37.5 mt-10 -65.5 -28.13 68.97 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.039 -178.022 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1950 ' ' LEU . . . . . 0.436 HD11 HD22 ' A' 1882 ' ' LEU . 7.7 tt -63.45 -47.48 81.65 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.007 -0.738 . . . . 0.0 109.007 174.723 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1951 ' ' ILE . . . . . 0.466 ' O ' ' HG2' ' A' 1955 ' ' ARG . 1.7 mp -63.41 -44.71 99.04 Favored 'Isoleucine or valine' 0 C--O 1.235 0.314 0 CA-C-N 115.615 -0.721 . . . . 0.0 110.289 176.384 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1952 ' ' GLU . . . . . 0.444 ' O ' ' HG3' ' A' 1956 ' ' ARG . 35.7 mm-40 -55.61 -39.81 71.26 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.264 178.49 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1953 ' ' CYS . . . . . 0.444 ' HB3' ' HG ' ' A' 1930 ' ' LEU . 11.7 t -74.53 -42.63 58.53 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 116.513 -0.312 . . . . 0.0 110.775 -177.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1954 ' ' ALA . . . . . . . . . . . . . . . -64.58 -41.49 96.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.516 -0.311 . . . . 0.0 111.677 -176.821 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1955 ' ' ARG . . . . . 0.466 ' HG2' ' O ' ' A' 1951 ' ' ILE . 9.9 ptp180 -66.96 -24.6 66.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.876 0.369 . . . . 0.0 110.629 179.113 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1956 ' ' ARG . . . . . 0.548 ' O ' ' HD3' ' A' 1960 ' ' LYS . 43.8 mtp180 -81.28 -30.03 34.14 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.667 179.708 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1957 ' ' VAL . . . . . 0.467 ' O ' HG13 ' A' 1961 ' ' VAL . 12.1 m -89.07 -30.95 5.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 C-N-CA 120.644 -0.422 . . . . 0.0 111.934 -178.187 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1958 ' ' SER . . . . . 0.604 ' O ' HG23 ' A' 1961 ' ' VAL . 23.4 p -63.78 -24.03 67.6 Favored 'General case' 0 CA--C 1.531 0.213 0 CA-C-O 120.931 0.396 . . . . 0.0 111.47 -175.781 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1959 ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -77.87 -33.79 51.95 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.784 0.326 . . . . 0.0 110.802 174.422 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1960 ' ' LYS . . . . . 0.548 ' HD3' ' O ' ' A' 1956 ' ' ARG . 12.1 mptt -66.54 -31.39 72.07 Favored 'General case' 0 CA--C 1.516 -0.328 0 CA-C-N 116.554 -0.294 . . . . 0.0 110.691 -178.879 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1961 ' ' VAL . . . . . 0.775 HG21 ' HB3' ' A' 1865 ' ' ALA . 2.2 m -64.97 -37.26 79.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 116.209 -0.451 . . . . 0.0 109.833 -179.89 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1962 ' ' SER . . . . . 0.574 ' HA ' HD11 ' A' 1965 ' ' LEU . 14.3 m -73.0 -24.98 60.82 Favored 'General case' 0 N--CA 1.441 -0.907 0 CA-C-O 121.305 0.574 . . . . 0.0 110.154 176.521 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1963 ' ' HIS . . . . . 0.439 ' HB3' ' HD2' ' A' 1919 ' ' ARG . 64.5 m170 -72.21 -30.37 64.86 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.655 -0.702 . . . . 0.0 109.785 176.618 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1964 ' ' VAL . . . . . 0.427 ' O ' HD22 ' A' 1968 ' ' LEU . 90.7 t -65.38 -44.93 94.45 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.203 0 N-CA-C 108.921 -0.77 . . . . 0.0 108.921 172.558 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1965 ' ' LEU . . . . . 0.574 HD11 ' HA ' ' A' 1962 ' ' SER . 54.1 mt -53.87 -46.51 71.35 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.007 -0.997 . . . . 0.0 110.735 178.671 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1966 ' ' ALA . . . . . . . . . . . . . . . -75.98 -31.23 58.88 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.88 -178.286 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1967 ' ' ALA . . . . . . . . . . . . . . . -63.99 -46.43 84.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.009 0.433 . . . . 0.0 111.184 -179.75 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1968 ' ' LEU . . . . . 0.786 ' HB3' ' HG3' ' A' 1854 ' ' GLN . 4.1 mm? -71.75 -29.75 64.85 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.972 -179.454 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1969 ' ' GLN . . . . . . . . . . . . . 47.4 mt-30 -94.89 14.75 20.55 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.517 -0.31 . . . . 0.0 110.961 -179.085 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1970 ' ' ALA . . . . . 0.501 ' HB1' HG12 ' A' 1912 ' ' ILE . . . -70.67 -18.27 62.84 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.92 0.39 . . . . 0.0 111.05 -179.228 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1971 ' ' GLY . . . . . . . . . . . . . . . -75.31 -10.64 84.42 Favored Glycine 0 N--CA 1.449 -0.449 0 C-N-CA 120.734 -0.746 . . . . 0.0 111.657 176.322 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1972 ' ' ASN . . . . . . . . . . . . . 5.1 m-20 55.19 -107.47 0.38 Allowed 'General case' 0 C--O 1.233 0.229 0 C-N-CA 123.114 0.566 . . . . 0.0 111.296 -179.693 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1973 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.244 0.801 0 CA-C-O 118.45 -0.786 . . . . 0.0 109.094 -179.695 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1837 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.8 0 N-CA-C 111.113 -0.795 . . . . 0.0 111.113 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A 1838 ' ' ILE . . . . . . . . . . . . . 56.0 mt -93.18 93.96 4.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 N-CA-C 108.383 -0.969 . . . . 0.0 108.383 170.645 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1839 ' ' ASP . . . . . . . . . . . . . 14.9 m-20 -110.22 126.43 28.96 Favored Pre-proline 0 C--N 1.318 -0.763 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.004 -172.247 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1840 ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -77.61 -18.27 13.73 Favored 'Trans proline' 0 N--CA 1.461 -0.433 0 C-N-CA 122.728 2.286 . . . . 0.0 112.44 179.076 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1841 ' ' PHE . . . . . . . . . . . . . 34.8 m-85 -108.21 170.0 8.28 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.295 0.569 . . . . 0.0 111.155 -175.526 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1842 ' ' THR . . . . . . . . . . . . . 60.4 p -115.1 -164.55 0.95 Allowed 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.313 -0.858 . . . . 0.0 109.582 177.432 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1843 ' ' MET . . . . . . . . . . . . . 46.2 ttm -78.23 79.85 4.67 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.581 0.705 . . . . 0.0 109.99 176.709 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1844 ' ' GLY . . . . . . . . . . . . . . . -152.66 48.63 0.54 Allowed Glycine 0 N--CA 1.447 -0.627 0 N-CA-C 109.501 -1.44 . . . . 0.0 109.501 177.7 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1845 ' ' ASP . . . . . 0.498 ' HB3' ' HD2' ' A' 1846 ' ' PRO . 9.9 m-20 -65.42 167.8 9.65 Favored Pre-proline 0 C--N 1.325 -0.46 0 CA-C-N 114.404 -0.898 . . . . 0.0 111.216 -172.74 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1846 ' ' PRO . . . . . 0.498 ' HD2' ' HB3' ' A' 1845 ' ' ASP . 83.7 Cg_exo -47.25 -31.56 12.72 Favored 'Trans proline' 0 C--N 1.351 0.702 0 C-N-CA 123.28 2.654 . . . . 0.0 113.159 178.49 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1847 ' ' GLU . . . . . 0.621 ' HB3' ' HG3' ' A' 1908 ' ' GLU . 1.2 pp20? -139.26 178.13 7.41 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.992 -0.374 . . . . 0.0 109.992 175.455 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1848 ' ' GLY . . . . . . . . . . . . . . . -146.72 28.93 1.59 Allowed Glycine 0 N--CA 1.45 -0.43 0 C-N-CA 120.499 -0.858 . . . . 0.0 111.949 179.467 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1849 ' ' SER . . . . . . . . . . . . . 30.7 m -141.39 -33.1 0.52 Allowed 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.185 0.517 . . . . 0.0 110.664 -176.861 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1850 ' ' PHE . . . . . 0.545 ' HZ ' HD13 ' A' 1916 ' ' ILE . 86.2 t80 -75.2 -21.39 58.72 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.453 -0.794 . . . . 0.0 110.109 -177.487 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1851 ' ' VAL . . . . . . . . . . . . . 28.1 m -48.88 -37.0 8.56 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.291 0 CA-C-N 115.426 -0.806 . . . . 0.0 112.421 179.796 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1852 ' ' ASP . . . . . . . . . . . . . 20.6 t70 -66.72 -43.87 83.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.138 0.495 . . . . 0.0 111.244 -176.791 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1853 ' ' TYR . . . . . 0.43 ' CE1' ' HB2' ' A' 1902 ' ' PRO . 51.4 m-85 -81.29 -23.67 37.76 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.33 -177.295 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1854 ' ' GLN . . . . . 0.891 ' HG3' ' HB3' ' A' 1968 ' ' LEU . 6.8 tt0 -68.5 -55.91 10.14 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.503 -0.772 . . . . 0.0 110.604 176.488 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1855 ' ' THR . . . . . 0.571 ' O ' ' HG2' ' A' 1859 ' ' ARG . 14.7 m -59.26 -40.68 86.76 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.993 -0.549 . . . . 0.0 112.31 -174.412 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1856 ' ' THR . . . . . 0.478 HG22 ' N ' ' A' 1857 ' ' MET . 6.2 t -62.33 -53.42 55.27 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 112.559 0.578 . . . . 0.0 112.559 -173.467 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1857 ' ' MET . . . . . 0.662 ' SD ' HD22 ' A' 1968 ' ' LEU . 7.2 ptp -77.85 -24.19 48.67 Favored 'General case' 0 C--N 1.327 -0.4 0 C-N-CA 120.415 -0.514 . . . . 0.0 111.972 -172.58 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1858 ' ' VAL . . . . . 0.422 ' O ' ' HG3' ' A' 1862 ' ' LYS . 23.3 m -69.87 -32.07 50.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 C-N-CA 119.546 -0.862 . . . . 0.0 109.251 174.736 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1859 ' ' ARG . . . . . 0.571 ' HG2' ' O ' ' A' 1855 ' ' THR . 30.5 mmt180 -70.23 -37.65 75.04 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-O 121.124 0.488 . . . . 0.0 109.691 174.322 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1860 ' ' THR . . . . . 0.478 ' HA ' HH21 ' A' 1895 ' ' ARG . 99.0 m -65.64 -44.26 86.96 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.504 -0.771 . . . . 0.0 111.069 176.781 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1861 ' ' ALA . . . . . . . . . . . . . . . -59.5 -40.01 85.66 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.842 0.353 . . . . 0.0 110.929 179.297 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1862 ' ' LYS . . . . . 0.422 ' HG3' ' O ' ' A' 1858 ' ' VAL . 52.1 mttm -64.03 -41.03 97.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.428 177.133 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1863 ' ' ALA . . . . . . . . . . . . . . . -67.16 -36.46 81.86 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.773 178.88 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1864 ' ' ILE . . . . . 0.627 ' O ' HG13 ' A' 1868 ' ' VAL . 76.1 mt -65.17 -47.52 87.24 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-N 116.368 -0.378 . . . . 0.0 109.994 174.777 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1865 ' ' ALA . . . . . 0.758 ' HB1' HG22 ' A' 1961 ' ' VAL . . . -56.72 -42.13 78.65 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.019 -0.537 . . . . 0.0 112.119 -177.709 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1866 ' ' VAL . . . . . . . . . . . . . 12.6 p -71.96 -32.44 44.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 C-N-CA 120.565 -0.454 . . . . 0.0 110.587 179.717 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1867 ' ' THR . . . . . 0.404 ' O ' ' HG3' ' A' 1871 ' ' MET . 92.1 m -68.96 -46.69 67.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.558 -0.292 . . . . 0.0 111.133 179.585 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1868 ' ' VAL . . . . . 0.627 HG13 ' O ' ' A' 1864 ' ' ILE . 3.2 m -62.62 -30.26 48.85 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.311 0 CA-C-O 121.767 0.794 . . . . 0.0 109.646 178.733 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1869 ' ' GLN . . . . . . . . . . . . . 8.9 tp-100 -78.32 -35.66 47.41 Favored 'General case' 0 N--CA 1.421 -1.912 0 CA-C-N 114.856 -1.066 . . . . 0.0 110.356 -177.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1870 ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -65.03 -36.04 83.12 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.97 -0.382 . . . . 0.0 109.97 173.165 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1871 ' ' MET . . . . . 0.404 ' HG3' ' O ' ' A' 1867 ' ' THR . 8.1 mtt -56.65 -51.25 69.44 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.03 177.697 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1872 ' ' VAL . . . . . 0.447 HG13 ' HA ' ' A' 1951 ' ' ILE . 33.2 m -72.36 -28.48 28.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 120.893 0.378 . . . . 0.0 111.532 -178.755 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1873 ' ' THR . . . . . . . . . . . . . 92.6 m -72.59 -47.13 50.49 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 120.995 0.426 . . . . 0.0 110.855 177.863 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1874 ' ' LYS . . . . . . . . . . . . . 71.5 mmtt -71.09 -37.27 72.42 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.75 -176.676 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1875 ' ' SER . . . . . 0.635 ' HB3' HD12 ' A' 1882 ' ' LEU . 12.0 p -57.32 -14.56 4.68 Favored 'General case' 0 N--CA 1.468 0.428 0 N-CA-C 112.594 0.59 . . . . 0.0 112.594 -175.123 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1876 ' ' ASN . . . . . . . . . . . . . 12.6 m120 -61.76 -43.36 99.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.51 -0.313 . . . . 0.0 111.048 176.704 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1877 ' ' THR . . . . . . . . . . . . . 74.1 p -131.35 -5.13 3.8 Favored 'General case' 0 CA--C 1.532 0.28 0 N-CA-C 112.045 0.387 . . . . 0.0 112.045 -177.601 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1878 ' ' SER . . . . . . . . . . . . . 68.7 m -138.26 109.2 8.17 Favored Pre-proline 0 C--N 1.325 -0.488 0 N-CA-C 111.99 0.367 . . . . 0.0 111.99 -173.808 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1879 ' ' PRO . . . . . 0.792 ' HA ' HD11 ' A' 1882 ' ' LEU . 25.9 Cg_endo -95.86 -3.65 1.94 Allowed 'Trans proline' 0 N--CA 1.442 -1.555 0 C-N-CA 121.827 1.685 . . . . 0.0 111.399 168.038 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1880 ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -71.59 -50.85 27.06 Favored 'General case' 0 C--N 1.334 -0.07 0 CA-C-N 115.52 -0.764 . . . . 0.0 110.341 179.115 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1881 ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 -63.1 -14.63 50.69 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 115.315 -0.857 . . . . 0.0 111.051 -176.662 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1882 ' ' LEU . . . . . 0.792 HD11 ' HA ' ' A' 1879 ' ' PRO . 6.7 mt -75.26 -12.21 60.23 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.588 -0.733 . . . . 0.0 112.131 -175.378 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1883 ' ' GLY . . . . . . . . . . . . . . . -75.38 -61.33 3.01 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.353 -0.927 . . . . 0.0 111.702 175.173 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1884 ' ' PRO . . . . . . . . . . . . . 9.2 Cg_endo -55.48 -41.19 80.49 Favored 'Trans proline' 0 C--N 1.346 0.444 0 C-N-CA 122.975 2.45 . . . . 0.0 112.495 174.71 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1885 ' ' LEU . . . . . . . . . . . . . 66.3 mt -60.15 -36.88 78.54 Favored 'General case' 0 N--CA 1.464 0.225 0 CA-C-O 120.519 0.199 . . . . 0.0 111.206 179.752 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1886 ' ' ALA . . . . . 0.45 ' HB2' ' HB ' ' A' 1931 ' ' VAL . . . -64.36 -49.47 71.51 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.996 0.427 . . . . 0.0 110.29 178.004 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1887 ' ' ASN . . . . . . . . . . . . . 46.4 t30 -61.66 -39.71 92.34 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.259 178.099 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1888 ' ' GLN . . . . . . . . . . . . . 34.8 tp60 -61.12 -50.55 72.79 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.423 -0.808 . . . . 0.0 111.135 179.267 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1889 ' ' LEU . . . . . 0.562 HD12 HG11 ' A' 1868 ' ' VAL . 1.6 tt -57.98 -44.06 86.9 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.344 0.592 . . . . 0.0 109.493 178.105 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1890 ' ' THR . . . . . . . . . . . . . 60.7 m -61.03 -47.85 84.51 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.344 -0.843 . . . . 0.0 111.432 -179.159 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1891 ' ' SER . . . . . . . . . . . . . 20.5 t -64.5 -36.12 83.18 Favored 'General case' 0 C--O 1.236 0.388 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.961 -177.748 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1892 ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -72.78 -39.1 67.03 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.923 178.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1893 ' ' TYR . . . . . . . . . . . . . 45.7 t80 -60.24 -39.13 85.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.634 0.254 . . . . 0.0 110.596 175.818 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1894 ' ' GLY . . . . . . . . . . . . . . . -60.86 -32.12 78.4 Favored Glycine 0 CA--C 1.517 0.205 0 C-N-CA 120.854 -0.688 . . . . 0.0 112.006 176.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1895 ' ' ARG . . . . . 0.478 HH21 ' HA ' ' A' 1860 ' ' THR . 41.1 ttp-105 -78.36 -26.58 46.69 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.304 0.574 . . . . 0.0 110.167 178.106 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1896 ' ' LEU . . . . . 0.432 HD12 ' HB2' ' A' 1857 ' ' MET . 52.8 tp -73.17 -54.92 7.25 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.465 -0.789 . . . . 0.0 110.957 179.118 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1897 ' ' ALA . . . . . . . . . . . . . . . -65.73 -24.98 67.09 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.916 -0.584 . . . . 0.0 112.065 -174.767 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1898 ' ' SER . . . . . . . . . . . . . 8.8 p -80.42 -19.67 45.65 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.921 0.391 . . . . 0.0 110.849 -174.663 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1899 ' ' GLN . . . . . . . . . . . . . 79.9 mm-40 -89.86 -11.23 42.55 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.611 177.184 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1900 ' ' ALA . . . . . . . . . . . . . . . -71.51 -31.86 67.55 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.653 179.469 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1901 ' ' LYS . . . . . 0.449 ' HB3' ' HD3' ' A' 1902 ' ' PRO . 9.2 tmtm? -66.96 -56.46 13.65 Favored Pre-proline 0 CA--C 1.541 0.607 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.189 -178.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1902 ' ' PRO . . . . . 0.449 ' HD3' ' HB3' ' A' 1901 ' ' LYS . 53.0 Cg_endo -70.13 -18.79 35.06 Favored 'Trans proline' 0 C--N 1.354 0.82 0 C-N-CA 121.965 1.776 . . . . 0.0 112.688 179.399 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1903 ' ' ALA . . . . . . . . . . . . . . . -75.94 -35.38 59.73 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.914 0.388 . . . . 0.0 110.721 177.522 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1904 ' ' ALA . . . . . . . . . . . . . . . -70.41 -30.98 67.99 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.087 0.47 . . . . 0.0 110.558 -177.096 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1905 ' ' VAL . . . . . . . . . . . . . 33.9 m -89.29 -7.63 10.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.601 -177.589 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1906 ' ' ALA . . . . . . . . . . . . . . . -113.03 12.02 19.13 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.058 0.456 . . . . 0.0 110.386 178.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1907 ' ' ALA . . . . . . . . . . . . . . . -84.94 125.51 32.73 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.882 -178.619 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1908 ' ' GLU . . . . . 0.621 ' HG3' ' HB3' ' A' 1847 ' ' GLU . 6.3 mm-40 -69.77 -35.5 74.96 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.5 179.414 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1909 ' ' ASN . . . . . 0.765 ' HB2' HG13 ' A' 1912 ' ' ILE . 2.3 m-20 -103.33 153.64 20.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.114 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1910 ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -62.09 -53.14 59.65 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.868 177.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1911 ' ' GLU . . . . . 0.468 ' HB3' ' CD2' ' A' 1915 ' ' HIS . 32.8 mt-10 -59.76 -36.19 76.13 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.444 -0.798 . . . . 0.0 111.969 -175.262 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1912 ' ' ILE . . . . . 0.765 HG13 ' HB2' ' A' 1909 ' ' ASN . 57.1 mt -55.98 -52.87 44.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 N-CA-C 110.307 -0.257 . . . . 0.0 110.307 -179.126 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1913 ' ' GLY . . . . . 0.408 ' O ' ' HD3' ' A' 1917 ' ' LYS . . . -67.81 -25.14 74.23 Favored Glycine 0 N--CA 1.449 -0.5 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.418 -178.774 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1914 ' ' ALA . . . . . . . . . . . . . . . -81.23 -50.94 8.96 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 122.769 -0.253 . . . . 0.0 111.306 -178.54 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1915 ' ' HIS . . . . . 0.607 ' O ' ' HG2' ' A' 1919 ' ' ARG . 72.5 m-70 -55.48 -44.19 76.26 Favored 'General case' 0 CA--C 1.519 -0.229 0 CA-C-N 116.515 -0.311 . . . . 0.0 111.433 -175.057 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1916 ' ' ILE . . . . . 0.545 HD13 ' HZ ' ' A' 1850 ' ' PHE . 81.8 mt -49.25 -54.58 5.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 121.372 0.606 . . . . 0.0 110.983 178.782 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1917 ' ' LYS . . . . . 0.418 ' HA ' HG21 ' A' 1920 ' ' VAL . 19.9 mtpp -68.95 -32.28 71.76 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.25 -0.886 . . . . 0.0 111.258 -175.5 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1918 ' ' HIS . . . . . . . . . . . . . 70.1 m-70 -67.91 -35.16 77.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.987 0.422 . . . . 0.0 111.097 178.326 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1919 ' ' ARG . . . . . 0.764 ' HD3' ' HB3' ' A' 1963 ' ' HIS . 1.7 mmp_? -81.59 -40.76 22.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.636 -175.864 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1920 ' ' VAL . . . . . 0.418 HG21 ' HA ' ' A' 1917 ' ' LYS . 33.1 m -66.57 -26.79 38.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 C-N-CA 120.822 -0.351 . . . . 0.0 110.744 179.134 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1921 ' ' GLN . . . . . . . . . . . . . 26.3 tt0 -67.04 -44.07 81.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.058 0.456 . . . . 0.0 110.298 176.686 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1922 ' ' GLU . . . . . . . . . . . . . 24.7 tt0 -71.13 -35.44 71.73 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-N 115.944 -0.571 . . . . 0.0 109.634 -179.098 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1923 ' ' LEU . . . . . . . . . . . . . 11.5 mt -64.24 -44.91 90.35 Favored 'General case' 0 C--O 1.224 -0.272 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.715 174.286 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1924 ' ' GLY . . . . . . . . . . . . . . . -54.78 -44.34 80.77 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 121.29 -0.481 . . . . 0.0 112.87 -179.01 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1925 ' ' HIS . . . . . . . . . . . . . 27.5 m80 -63.89 -45.08 90.98 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.707 0.289 . . . . 0.0 110.608 178.043 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1926 ' ' GLY . . . . . . . . . . . . . . . -65.97 -42.6 94.69 Favored Glycine 0 N--CA 1.449 -0.454 0 C-N-CA 120.897 -0.668 . . . . 0.0 112.506 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1927 ' ' CYS . . . . . . . . . . . . . 72.8 m -62.9 -46.09 89.46 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.682 0.277 . . . . 0.0 110.706 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1928 ' ' SER . . . . . . . . . . . . . 18.2 m -65.49 -39.69 92.21 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.746 -178.376 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1929 ' ' ALA . . . . . . . . . . . . . . . -66.75 -40.62 88.35 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.882 0.372 . . . . 0.0 110.482 176.506 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1930 ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -61.64 -51.4 68.62 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.698 -179.11 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1931 ' ' VAL . . . . . 0.45 ' HB ' ' HB2' ' A' 1886 ' ' ALA . 20.8 m -63.59 -27.58 43.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-O 120.702 0.287 . . . . 0.0 110.944 -178.07 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1932 ' ' THR . . . . . . . . . . . . . 57.6 m -69.87 -48.67 57.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.896 0.379 . . . . 0.0 110.114 175.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1933 ' ' LYS . . . . . . . . . . . . . 74.9 mmtt -66.69 -33.54 75.88 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.722 179.641 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1934 ' ' ALA . . . . . 0.512 ' HA ' HD13 ' A' 1950 ' ' LEU . . . -61.44 -48.68 80.03 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.585 176.89 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1935 ' ' GLY . . . . . . . . . . . . . . . -67.66 -31.58 76.49 Favored Glycine 0 N--CA 1.449 -0.47 0 C-N-CA 120.876 -0.678 . . . . 0.0 112.04 178.206 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1936 ' ' ALA . . . . . . . . . . . . . . . -68.36 -48.1 65.67 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.476 0.179 . . . . 0.0 110.765 177.66 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1937 ' ' LEU . . . . . . . . . . . . . 24.3 tp -65.72 -33.99 77.16 Favored 'General case' 0 CA--C 1.515 -0.389 0 CA-C-O 121.214 0.531 . . . . 0.0 110.47 178.57 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1938 ' ' GLN . . . . . 0.557 ' HA ' ' HB2' ' A' 1879 ' ' PRO . 23.0 tt0 -58.88 -38.35 78.62 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.226 178.689 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1939 ' ' CYS . . . . . . . . . . . . . 48.3 t -83.07 -34.13 26.24 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.626 -0.715 . . . . 0.0 110.402 178.824 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1940 ' ' SER . . . . . . . . . . . . . 18.8 m -122.78 86.54 49.99 Favored Pre-proline 0 C--N 1.327 -0.397 0 CA-C-N 116.431 -0.349 . . . . 0.0 111.14 -178.649 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1941 ' ' PRO . . . . . . . . . . . . . 84.1 Cg_endo -83.8 -9.07 10.04 Favored 'Trans proline' 0 N--CA 1.463 -0.296 0 C-N-CA 122.704 2.269 . . . . 0.0 113.222 -176.441 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1942 ' ' SER . . . . . . . . . . . . . 36.6 m -94.87 -13.01 25.88 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.952 0.406 . . . . 0.0 110.548 -179.327 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1943 ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -79.9 99.33 7.52 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.019 -0.537 . . . . 0.0 109.936 175.809 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1944 ' ' VAL . . . . . 0.536 ' O ' ' HG2' ' A' 1948 ' ' LYS . 14.0 p -66.43 -33.1 61.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.344 -175.531 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1945 ' ' TYR . . . . . . . . . . . . . 90.3 m-85 -73.8 -31.0 63.04 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.543 0.211 . . . . 0.0 110.511 -178.687 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1946 ' ' THR . . . . . . . . . . . . . 79.7 m -61.84 -38.46 88.31 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.3 0.571 . . . . 0.0 109.504 173.193 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1947 ' ' LYS . . . . . . . . . . . . . 31.8 ttpt -69.85 -41.82 74.36 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.507 -0.77 . . . . 0.0 110.259 176.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1948 ' ' LYS . . . . . 0.54 ' HE2' ' HA ' ' A' 1948 ' ' LYS . 9.8 mmpt? -57.04 -46.01 82.73 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.657 -179.487 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1949 ' ' GLU . . . . . . . . . . . . . 19.4 mm-40 -55.51 -40.99 72.46 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.846 178.419 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1950 ' ' LEU . . . . . 0.686 HD11 HD23 ' A' 1882 ' ' LEU . 7.6 tt -63.39 -51.63 65.03 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.191 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1951 ' ' ILE . . . . . 0.447 ' HA ' HG13 ' A' 1872 ' ' VAL . 1.7 mp -61.91 -46.09 97.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.702 -178.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1952 ' ' GLU . . . . . . . . . . . . . 40.6 mm-40 -59.65 -40.44 87.72 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.322 178.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1953 ' ' CYS . . . . . 0.516 ' O ' HG11 ' A' 1957 ' ' VAL . 7.3 t -69.13 -44.77 71.7 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 116.56 -0.291 . . . . 0.0 110.599 -178.297 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1954 ' ' ALA . . . . . . . . . . . . . . . -64.36 -42.87 95.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.775 0.321 . . . . 0.0 111.69 -177.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1955 ' ' ARG . . . . . 0.433 HH11 ' HD3' ' A' 1955 ' ' ARG . 4.0 ptm180 -65.96 -35.54 80.88 Favored 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 121.056 -0.257 . . . . 0.0 111.059 -178.566 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1956 ' ' ARG . . . . . . . . . . . . . 18.7 ptp180 -80.9 -22.88 39.37 Favored 'General case' 0 C--O 1.225 -0.213 0 C-N-CA 120.714 -0.394 . . . . 0.0 111.443 -176.098 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1957 ' ' VAL . . . . . 0.516 HG11 ' O ' ' A' 1953 ' ' CYS . 12.9 m -85.42 -22.46 7.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 C-N-CA 120.372 -0.531 . . . . 0.0 110.69 174.814 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1958 ' ' SER . . . . . 0.681 ' O ' HG21 ' A' 1961 ' ' VAL . 29.6 t -62.16 -28.62 69.78 Favored 'General case' 0 CA--C 1.531 0.214 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.864 -178.675 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1959 ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -81.45 -26.36 35.37 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.893 0.378 . . . . 0.0 111.197 176.093 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1960 ' ' LYS . . . . . 0.482 ' HA ' ' ND1' ' A' 1963 ' ' HIS . 40.8 mttm -71.6 -27.69 63.29 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.554 -0.294 . . . . 0.0 110.584 -179.098 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1961 ' ' VAL . . . . . 0.758 HG22 ' HB1' ' A' 1865 ' ' ALA . 3.4 m -64.2 -33.79 64.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 N-CA-C 109.538 -0.542 . . . . 0.0 109.538 175.616 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1962 ' ' SER . . . . . 0.52 ' HA ' HD13 ' A' 1965 ' ' LEU . 32.8 t -75.74 -25.01 56.17 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-N 115.634 -0.712 . . . . 0.0 109.82 178.935 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1963 ' ' HIS . . . . . 0.764 ' HB3' ' HD3' ' A' 1919 ' ' ARG . 49.0 m170 -69.99 -29.48 66.58 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.05 178.263 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1964 ' ' VAL . . . . . 0.612 ' O ' HD23 ' A' 1968 ' ' LEU . 61.7 t -71.85 -45.22 66.07 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.183 0 N-CA-C 109.082 -0.71 . . . . 0.0 109.082 172.542 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1965 ' ' LEU . . . . . 0.52 HD13 ' HA ' ' A' 1962 ' ' SER . 82.0 mt -51.77 -45.93 63.94 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.848 -0.614 . . . . 0.0 111.299 179.871 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1966 ' ' ALA . . . . . . . . . . . . . . . -75.7 -28.15 58.5 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 112.033 0.383 . . . . 0.0 112.033 -177.616 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1967 ' ' ALA . . . . . . . . . . . . . . . -71.34 -36.87 71.69 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.828 0.347 . . . . 0.0 111.269 -178.327 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1968 ' ' LEU . . . . . 0.891 ' HB3' ' HG3' ' A' 1854 ' ' GLN . 3.9 mm? -79.86 -33.71 39.9 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.898 -177.595 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1969 ' ' GLN . . . . . . . . . . . . . 48.0 mt-30 -86.75 60.61 6.32 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.697 0.761 . . . . 0.0 109.65 -179.726 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1970 ' ' ALA . . . . . 0.492 ' HB1' HG12 ' A' 1912 ' ' ILE . . . -124.16 -174.52 3.02 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 114.663 -1.153 . . . . 0.0 110.526 179.335 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1971 ' ' GLY . . . . . . . . . . . . . . . 140.79 -73.83 0.38 Allowed Glycine 0 N--CA 1.449 -0.467 0 N-CA-C 111.181 -0.768 . . . . 0.0 111.181 179.794 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1972 ' ' ASN . . . . . . . . . . . . . 27.8 t-20 -101.06 -35.41 9.35 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 109.06 -0.719 . . . . 0.0 109.06 173.358 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1973 ' ' ARG . . . . . . . . . . . . . 38.0 ttt180 . . . . . 0 C--O 1.248 0.975 0 CA-C-N 115.097 -0.956 . . . . 0.0 109.538 177.212 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A 1837 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.687 0 N-CA-C 112.04 -0.424 . . . . 0.0 112.04 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A 1838 ' ' ILE . . . . . . . . . . . . . 75.9 mt 67.74 98.66 0.05 OUTLIER 'Isoleucine or valine' 0 C--O 1.235 0.301 0 CA-C-O 121.283 0.563 . . . . 0.0 111.015 -178.296 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1839 ' ' ASP . . . . . 0.485 ' OD2' ' HB2' ' A' 1841 ' ' PHE . 4.6 p-10 -122.79 146.57 48.51 Favored Pre-proline 0 C--N 1.323 -0.58 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.011 -179.82 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1840 ' ' PRO . . . . . . . . . . . . . 95.6 Cg_endo -87.78 15.93 2.02 Favored 'Trans proline' 0 N--CA 1.46 -0.466 0 C-N-CA 122.893 2.395 . . . . 0.0 113.431 -176.533 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1841 ' ' PHE . . . . . 0.485 ' HB2' ' OD2' ' A' 1839 ' ' ASP . 90.2 m-85 -85.8 66.73 9.77 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.125 0.488 . . . . 0.0 110.941 -179.372 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1842 ' ' THR . . . . . . . . . . . . . 40.0 p -119.2 1.35 11.33 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.854 -179.593 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1843 ' ' MET . . . . . . . . . . . . . 24.1 mmt -122.83 -171.39 2.28 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.378 -0.828 . . . . 0.0 109.901 178.537 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1844 ' ' GLY . . . . . . . . . . . . . . . 82.0 -103.18 2.33 Favored Glycine 0 N--CA 1.448 -0.536 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.063 -179.708 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1845 ' ' ASP . . . . . 0.424 ' HA ' ' HD3' ' A' 1846 ' ' PRO . 19.6 m-20 -103.11 133.91 20.08 Favored Pre-proline 0 C--N 1.322 -0.593 0 CA-C-O 120.695 0.284 . . . . 0.0 110.509 179.497 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1846 ' ' PRO . . . . . 0.424 ' HD3' ' HA ' ' A' 1845 ' ' ASP . 38.5 Cg_exo -58.41 -39.94 79.37 Favored 'Trans proline' 0 CA--C 1.529 0.273 0 C-N-CA 123.124 2.549 . . . . 0.0 112.86 179.868 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1847 ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -97.72 5.08 49.74 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.046 0.451 . . . . 0.0 110.628 178.081 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1848 ' ' GLY . . . . . . . . . . . . . . . 63.99 -136.59 40.74 Favored Glycine 0 N--CA 1.451 -0.365 0 CA-C-N 115.671 -0.695 . . . . 0.0 113.012 177.036 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1849 ' ' SER . . . . . . . . . . . . . 13.3 m -91.71 34.9 0.97 Allowed 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.843 0.354 . . . . 0.0 110.97 -177.149 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1850 ' ' PHE . . . . . . . . . . . . . 83.8 t80 -57.93 -26.83 62.76 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.19 -178.691 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1851 ' ' VAL . . . . . . . . . . . . . 7.2 m -62.73 -28.69 45.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-O 121.007 0.432 . . . . 0.0 111.179 -178.545 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1852 ' ' ASP . . . . . . . . . . . . . 18.5 t70 -80.48 -47.4 14.35 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.175 177.89 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1853 ' ' TYR . . . . . 0.508 ' HB3' ' HB1' ' A' 1903 ' ' ALA . 30.1 m-85 -61.12 -37.16 81.82 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.521 -0.763 . . . . 0.0 111.144 -178.609 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1854 ' ' GLN . . . . . 0.654 ' HG3' ' HB3' ' A' 1968 ' ' LEU . 32.3 tt0 -57.14 -59.99 4.26 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.78 176.761 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1855 ' ' THR . . . . . 0.427 ' O ' ' HG2' ' A' 1859 ' ' ARG . 85.2 m -67.28 -34.23 76.96 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.999 -0.546 . . . . 0.0 112.192 -174.891 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1856 ' ' THR . . . . . 0.461 HG23 ' O ' ' A' 1853 ' ' TYR . 5.0 t -64.98 -46.05 83.08 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 112.015 0.376 . . . . 0.0 112.015 -172.409 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1857 ' ' MET . . . . . 0.633 ' SD ' HD22 ' A' 1968 ' ' LEU . 4.9 ptp -81.99 -30.63 31.51 Favored 'General case' 0 C--N 1.331 -0.21 0 O-C-N 122.009 -0.432 . . . . 0.0 112.092 -175.876 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1858 ' ' VAL . . . . . 0.41 HG11 ' O ' ' A' 1854 ' ' GLN . 28.9 m -64.02 -29.79 48.27 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.105 0 C-N-CA 120.051 -0.66 . . . . 0.0 109.567 177.598 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1859 ' ' ARG . . . . . 0.427 ' HG2' ' O ' ' A' 1855 ' ' THR . 11.7 mmt85 -64.14 -45.37 88.8 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.391 173.352 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1860 ' ' THR . . . . . . . . . . . . . 3.9 m -67.65 -39.17 84.6 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.682 -179.594 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1861 ' ' ALA . . . . . 0.482 ' HB3' ' HB ' ' A' 1961 ' ' VAL . . . -58.66 -42.41 88.34 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.364 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1862 ' ' LYS . . . . . . . . . . . . . 39.6 mttm -63.6 -39.37 94.19 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.688 178.848 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1863 ' ' ALA . . . . . . . . . . . . . . . -66.29 -35.84 81.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.812 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1864 ' ' ILE . . . . . 0.596 ' O ' HG11 ' A' 1868 ' ' VAL . 73.8 mt -66.88 -45.68 86.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.069 175.439 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1865 ' ' ALA . . . . . 0.773 ' HB2' HG23 ' A' 1961 ' ' VAL . . . -58.2 -43.91 87.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.007 -0.542 . . . . 0.0 112.037 -177.94 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1866 ' ' VAL . . . . . . . . . . . . . 13.9 p -68.83 -33.42 59.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 C-N-CA 120.636 -0.426 . . . . 0.0 110.433 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1867 ' ' THR . . . . . 0.619 ' O ' ' HG3' ' A' 1871 ' ' MET . 96.7 m -62.76 -51.75 65.89 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.508 -0.314 . . . . 0.0 110.681 177.843 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1868 ' ' VAL . . . . . 0.596 HG11 ' O ' ' A' 1864 ' ' ILE . 2.5 m -62.41 -31.09 50.63 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.222 0 CA-C-O 121.508 0.671 . . . . 0.0 110.161 -178.817 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1869 ' ' GLN . . . . . . . . . . . . . 8.9 tp-100 -74.14 -28.54 61.38 Favored 'General case' 0 N--CA 1.426 -1.67 0 CA-C-N 114.979 -1.009 . . . . 0.0 110.282 -178.451 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1870 ' ' GLU . . . . . 0.459 ' O ' ' HG2' ' A' 1874 ' ' LYS . 34.1 mt-10 -73.65 -47.44 39.94 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.078 172.029 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1871 ' ' MET . . . . . 0.619 ' HG3' ' O ' ' A' 1867 ' ' THR . 67.1 mtp -54.37 -46.51 73.03 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.568 -0.742 . . . . 0.0 111.315 -176.248 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1872 ' ' VAL . . . . . 0.522 ' HB ' HG13 ' A' 1951 ' ' ILE . 30.0 m -67.73 -32.81 58.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-O 120.831 0.348 . . . . 0.0 111.469 179.455 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1873 ' ' THR . . . . . . . . . . . . . 97.1 m -68.94 -39.12 79.75 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.324 0.583 . . . . 0.0 110.33 177.575 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1874 ' ' LYS . . . . . 0.459 ' HG2' ' O ' ' A' 1870 ' ' GLU . 67.6 mmtt -70.94 -38.48 72.87 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.54 -0.754 . . . . 0.0 111.307 -178.388 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1875 ' ' SER . . . . . . . . . . . . . 96.3 p -56.63 -20.79 22.99 Favored 'General case' 0 N--CA 1.465 0.295 0 N-CA-C 112.841 0.682 . . . . 0.0 112.841 -172.256 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1876 ' ' ASN . . . . . . . . . . . . . 88.6 m-20 -75.27 -19.71 59.55 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 111.769 0.285 . . . . 0.0 111.769 -177.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1877 ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -140.53 -37.55 0.45 Allowed 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 112.747 0.647 . . . . 0.0 112.747 -174.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1878 ' ' SER . . . . . 0.476 ' O ' HD11 ' A' 1882 ' ' LEU . 20.8 m -123.37 98.34 41.37 Favored Pre-proline 0 C--N 1.32 -0.697 0 CA-C-N 116.546 -0.297 . . . . 0.0 111.224 -174.805 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1879 ' ' PRO . . . . . 0.799 ' HG3' ' HB3' ' A' 1941 ' ' PRO . 53.7 Cg_endo -89.75 -14.56 2.39 Favored 'Trans proline' 0 N--CA 1.446 -1.316 0 C-N-CA 121.708 1.605 . . . . 0.0 112.933 178.509 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1880 ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -78.75 -42.25 28.57 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 112.042 0.386 . . . . 0.0 112.042 -175.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1881 ' ' GLU . . . . . 0.439 ' CD ' ' HD2' ' A' 1874 ' ' LYS . 15.3 pt-20 -72.14 -11.57 60.8 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.418 0.628 . . . . 0.0 110.331 -179.056 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1882 ' ' LEU . . . . . 0.748 HD11 ' HA ' ' A' 1879 ' ' PRO . 0.6 OUTLIER -63.32 -20.57 65.61 Favored 'General case' 0 N--CA 1.449 -0.489 0 CA-C-N 115.377 -0.829 . . . . 0.0 111.826 176.488 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A 1883 ' ' GLY . . . . . . . . . . . . . . . -62.64 -60.87 7.13 Favored Glycine 0 CA--C 1.518 0.258 0 C-N-CA 120.561 -0.828 . . . . 0.0 111.798 176.469 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1884 ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -51.3 -40.31 61.59 Favored 'Trans proline' 0 C--N 1.346 0.425 0 C-N-CA 122.722 2.281 . . . . 0.0 112.412 172.702 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1885 ' ' LEU . . . . . 0.508 ' HB3' ' HG2' ' A' 1871 ' ' MET . 57.1 mt -63.53 -39.61 94.87 Favored 'General case' 0 C--O 1.231 0.117 0 CA-C-N 116.506 -0.316 . . . . 0.0 111.164 179.315 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1886 ' ' ALA . . . . . . . . . . . . . . . -63.74 -44.37 93.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.969 0.414 . . . . 0.0 110.38 177.101 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1887 ' ' ASN . . . . . . . . . . . . . 88.0 m-20 -62.03 -38.88 90.36 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.938 -0.574 . . . . 0.0 109.886 176.683 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1888 ' ' GLN . . . . . . . . . . . . . 31.3 tp60 -61.59 -46.49 89.63 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.581 -0.736 . . . . 0.0 111.125 179.695 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1889 ' ' LEU . . . . . 0.472 HD11 ' SD ' ' A' 1871 ' ' MET . 1.4 tt -60.05 -46.96 87.81 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 109.179 -0.675 . . . . 0.0 109.179 176.633 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1890 ' ' THR . . . . . . . . . . . . . 45.6 m -57.57 -40.59 79.29 Favored 'General case' 0 C--O 1.237 0.443 0 CA-C-N 115.144 -0.935 . . . . 0.0 111.465 -179.757 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1891 ' ' SER . . . . . . . . . . . . . 48.1 m -66.71 -53.01 38.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.365 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1892 ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -63.72 -37.99 89.42 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 111.81 0.3 . . . . 0.0 111.81 -176.373 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1893 ' ' TYR . . . . . . . . . . . . . 51.8 t80 -58.2 -34.99 70.97 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-O 120.697 0.285 . . . . 0.0 110.797 177.522 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1894 ' ' GLY . . . . . . . . . . . . . . . -58.19 -42.36 95.26 Favored Glycine 0 N--CA 1.449 -0.461 0 C-N-CA 120.967 -0.635 . . . . 0.0 112.008 179.436 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1895 ' ' ARG . . . . . . . . . . . . . 9.8 ttp180 -66.4 -45.19 80.8 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.84 -0.429 . . . . 0.0 109.84 179.107 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1896 ' ' LEU . . . . . 0.431 HD11 ' HB2' ' A' 1857 ' ' MET . 57.3 tp -55.95 -50.55 70.45 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.32 -179.757 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1897 ' ' ALA . . . . . . . . . . . . . . . -64.01 -25.59 68.19 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.342 -178.491 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1898 ' ' SER . . . . . . . . . . . . . 48.9 m -81.58 -21.4 38.41 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.36 0.6 . . . . 0.0 110.095 -176.879 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1899 ' ' GLN . . . . . 0.435 ' OE1' ' HA ' ' A' 1857 ' ' MET . 81.0 mt-30 -91.36 -9.67 44.0 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.267 -0.879 . . . . 0.0 109.778 178.754 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1900 ' ' ALA . . . . . . . . . . . . . . . -80.23 -39.66 28.62 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-N 115.442 -0.799 . . . . 0.0 111.46 -178.805 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1901 ' ' LYS . . . . . 0.405 ' HB3' ' HD3' ' A' 1902 ' ' PRO . 87.6 tttt -63.54 -57.3 20.38 Favored Pre-proline 0 CA--C 1.538 0.495 0 CA-C-N 116.162 -0.472 . . . . 0.0 112.125 -176.263 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1902 ' ' PRO . . . . . 0.428 ' HA ' HG23 ' A' 1905 ' ' VAL . 37.5 Cg_endo -65.56 -22.57 58.27 Favored 'Trans proline' 0 C--N 1.355 0.882 0 C-N-CA 121.902 1.735 . . . . 0.0 112.177 -178.785 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1903 ' ' ALA . . . . . 0.508 ' HB1' ' HB3' ' A' 1853 ' ' TYR . . . -72.13 -33.55 67.89 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.057 0.456 . . . . 0.0 110.437 177.23 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1904 ' ' ALA . . . . . . . . . . . . . . . -76.87 -38.41 53.72 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.773 -0.649 . . . . 0.0 111.07 -176.62 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1905 ' ' VAL . . . . . 0.428 HG23 ' HA ' ' A' 1902 ' ' PRO . 29.5 m -75.64 -14.06 15.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.894 -179.693 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1906 ' ' ALA . . . . . . . . . . . . . . . -95.81 -25.41 16.05 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.956 0.407 . . . . 0.0 110.697 176.395 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1907 ' ' ALA . . . . . . . . . . . . . . . -67.1 116.61 8.1 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.65 -176.691 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1908 ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -75.67 -32.52 60.2 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.61 -0.723 . . . . 0.0 111.045 177.422 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1909 ' ' ASN . . . . . . . . . . . . . 40.9 t-20 -80.74 131.62 35.45 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.233 -177.37 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1910 ' ' GLU . . . . . . . . . . . . . 44.3 tt0 -52.69 -51.8 58.71 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.285 -0.87 . . . . 0.0 111.489 -178.737 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1911 ' ' GLU . . . . . . . . . . . . . 11.6 mt-10 -70.95 -37.19 72.81 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.805 -0.634 . . . . 0.0 112.053 -173.857 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1912 ' ' ILE . . . . . 0.555 ' O ' HG13 ' A' 1916 ' ' ILE . 56.0 mt -56.4 -53.29 42.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 C-N-CA 120.574 -0.45 . . . . 0.0 109.823 178.873 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1913 ' ' GLY . . . . . . . . . . . . . . . -62.74 -33.63 87.37 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.95 -0.643 . . . . 0.0 112.53 179.572 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1914 ' ' ALA . . . . . . . . . . . . . . . -73.31 -47.86 39.23 Favored 'General case' 0 C--N 1.329 -0.3 0 O-C-N 122.766 -0.255 . . . . 0.0 110.907 -178.438 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1915 ' ' HIS . . . . . 0.477 ' O ' ' HG2' ' A' 1919 ' ' ARG . 71.6 m-70 -60.01 -40.34 88.91 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.101 -177.704 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1916 ' ' ILE . . . . . 0.555 HG13 ' O ' ' A' 1912 ' ' ILE . 90.2 mt -52.52 -59.43 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 O-C-N 123.473 0.483 . . . . 0.0 111.393 -179.224 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1917 ' ' LYS . . . . . 0.589 ' HA ' HG22 ' A' 1920 ' ' VAL . 0.0 OUTLIER -71.02 -36.2 72.3 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 120.591 -0.444 . . . . 0.0 111.122 -178.968 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A 1918 ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -56.9 -41.32 77.89 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.689 0.281 . . . . 0.0 111.519 179.838 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1919 ' ' ARG . . . . . 0.477 ' HG2' ' O ' ' A' 1915 ' ' HIS . 31.6 mmt180 -76.9 -43.61 35.05 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.564 -0.289 . . . . 0.0 111.209 -178.197 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1920 ' ' VAL . . . . . 0.589 HG22 ' HA ' ' A' 1917 ' ' LYS . 28.8 m -71.89 -31.55 41.29 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.212 0 C-N-CA 120.958 -0.297 . . . . 0.0 111.507 -177.675 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1921 ' ' GLN . . . . . 0.545 ' HB2' ' O ' ' A' 1917 ' ' LYS . 0.0 OUTLIER -65.64 -44.64 85.79 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 109.145 -0.687 . . . . 0.0 109.145 177.369 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A 1922 ' ' GLU . . . . . 0.794 ' HB3' ' HD3' ' A' 1960 ' ' LYS . 12.8 mm-40 -69.16 -31.56 70.3 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.305 -0.861 . . . . 0.0 111.17 176.326 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1923 ' ' LEU . . . . . 0.438 ' HB2' ' HA ' ' A' 1920 ' ' VAL . 21.3 mt -65.48 -29.5 70.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.357 173.709 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1924 ' ' GLY . . . . . . . . . . . . . . . -62.15 -47.27 90.94 Favored Glycine 0 N--CA 1.447 -0.604 0 C-N-CA 120.824 -0.703 . . . . 0.0 111.416 174.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1925 ' ' HIS . . . . . . . . . . . . . 35.9 m170 -58.99 -47.17 86.12 Favored 'General case' 0 CA--C 1.519 -0.219 0 CA-C-O 120.939 0.399 . . . . 0.0 110.229 176.592 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1926 ' ' GLY . . . . . . . . . . . . . . . -62.29 -47.28 90.79 Favored Glycine 0 N--CA 1.449 -0.494 0 C-N-CA 120.883 -0.675 . . . . 0.0 112.211 179.701 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1927 ' ' CYS . . . . . 0.443 ' SG ' HD21 ' A' 1889 ' ' LEU . 38.9 t -58.9 -51.29 70.67 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.59 0.233 . . . . 0.0 110.672 178.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1928 ' ' SER . . . . . . . . . . . . . 20.4 t -63.01 -39.74 95.67 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.905 -176.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1929 ' ' ALA . . . . . . . . . . . . . . . -69.49 -45.74 68.25 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.614 0.245 . . . . 0.0 110.901 178.816 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1930 ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -59.71 -48.63 80.92 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.703 -178.757 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1931 ' ' VAL . . . . . . . . . . . . . 32.7 m -64.66 -31.47 53.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 C-N-CA 121.074 -0.25 . . . . 0.0 111.229 -177.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1932 ' ' THR . . . . . . . . . . . . . 87.9 m -66.24 -42.47 88.56 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.029 0.442 . . . . 0.0 110.349 176.378 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1933 ' ' LYS . . . . . 0.417 ' HD3' ' HA ' ' A' 1933 ' ' LYS . 68.5 mmtt -73.05 -34.25 66.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.027 179.005 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1934 ' ' ALA . . . . . . . . . . . . . . . -60.73 -47.83 84.53 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 110.132 -0.321 . . . . 0.0 110.132 175.58 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1935 ' ' GLY . . . . . . . . . . . . . . . -69.62 -31.22 70.61 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.98 -0.628 . . . . 0.0 112.366 178.028 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1936 ' ' ALA . . . . . . . . . . . . . . . -67.14 -49.39 65.01 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.769 0.319 . . . . 0.0 110.907 178.484 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1937 ' ' LEU . . . . . 0.482 ' HB2' HG23 ' A' 1946 ' ' THR . 43.8 tp -67.4 -31.07 71.04 Favored 'General case' 0 CA--C 1.514 -0.433 0 CA-C-O 121.296 0.57 . . . . 0.0 109.668 178.313 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1938 ' ' GLN . . . . . 0.423 ' HA ' ' HB2' ' A' 1879 ' ' PRO . 10.5 tt0 -57.26 -39.38 75.5 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.138 -0.937 . . . . 0.0 110.571 178.565 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1939 ' ' CYS . . . . . . . . . . . . . 47.5 m -87.14 -13.26 44.63 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.692 -0.686 . . . . 0.0 111.601 -178.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1940 ' ' SER . . . . . . . . . . . . . 50.4 m -149.96 88.01 4.92 Favored Pre-proline 0 C--N 1.327 -0.402 0 CA-C-O 120.75 0.31 . . . . 0.0 111.562 -177.379 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1941 ' ' PRO . . . . . 0.799 ' HB3' ' HG3' ' A' 1879 ' ' PRO . 60.7 Cg_endo -74.48 -11.19 22.47 Favored 'Trans proline' 0 C--O 1.233 0.268 0 C-N-CA 122.622 2.214 . . . . 0.0 112.587 -179.671 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1942 ' ' SER . . . . . . . . . . . . . 31.0 m -86.96 -5.26 59.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.299 -178.262 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1943 ' ' ASP . . . . . . . . . . . . . 18.1 t70 -94.08 106.23 18.21 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.838 0.351 . . . . 0.0 110.162 -179.719 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1944 ' ' VAL . . . . . 0.474 ' O ' ' HG2' ' A' 1948 ' ' LYS . 8.2 p -70.82 -34.01 54.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.372 -176.032 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1945 ' ' TYR . . . . . 0.432 ' O ' ' HG3' ' A' 1949 ' ' GLU . 47.0 m-85 -59.21 -48.31 82.08 Favored 'General case' 0 CA--C 1.518 -0.274 0 CA-C-O 120.593 0.235 . . . . 0.0 111.024 -177.805 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1946 ' ' THR . . . . . 0.482 HG23 ' HB2' ' A' 1937 ' ' LEU . 88.5 m -57.31 -41.28 79.57 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.035 178.661 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1947 ' ' LYS . . . . . . . . . . . . . 27.4 ttpt -67.27 -42.72 83.38 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 110.137 -0.32 . . . . 0.0 110.137 179.055 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1948 ' ' LYS . . . . . 0.474 ' HG2' ' O ' ' A' 1944 ' ' VAL . 9.3 mmpt? -58.31 -50.83 72.24 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.24 -0.436 . . . . 0.0 109.883 178.242 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1949 ' ' GLU . . . . . 0.432 ' HG3' ' O ' ' A' 1945 ' ' TYR . 37.5 mt-10 -62.34 -28.53 69.81 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.344 -178.709 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1950 ' ' LEU . . . . . . . . . . . . . 7.0 tt -62.89 -48.66 78.0 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 177.893 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1951 ' ' ILE . . . . . 0.522 HG13 ' HB ' ' A' 1872 ' ' VAL . 1.9 mp -64.72 -45.25 95.77 Favored 'Isoleucine or valine' 0 C--O 1.235 0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.197 175.566 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1952 ' ' GLU . . . . . 0.409 ' O ' ' HG3' ' A' 1956 ' ' ARG . 17.7 mm-40 -61.42 -26.76 68.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.784 -0.644 . . . . 0.0 112.09 -177.901 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1953 ' ' CYS . . . . . . . . . . . . . 10.2 t -86.38 -40.76 15.09 Favored 'General case' 0 C--N 1.322 -0.6 0 C-N-CA 121.054 -0.259 . . . . 0.0 110.419 179.432 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1954 ' ' ALA . . . . . . . . . . . . . . . -62.47 -42.45 99.49 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.25 -179.171 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1955 ' ' ARG . . . . . 0.411 HH11 ' HD3' ' A' 1955 ' ' ARG . 0.0 OUTLIER -62.72 -23.44 67.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.047 0.451 . . . . 0.0 110.75 -179.677 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A 1956 ' ' ARG . . . . . 0.409 ' HG3' ' O ' ' A' 1952 ' ' GLU . 64.3 mtp180 -73.99 -39.12 63.87 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.622 178.018 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1957 ' ' VAL . . . . . 0.614 ' O ' HG13 ' A' 1961 ' ' VAL . 8.8 m -86.32 -30.07 6.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.692 -174.181 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1958 ' ' SER . . . . . 0.448 ' O ' HG22 ' A' 1961 ' ' VAL . 15.5 p -65.94 -32.05 73.32 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.399 0.618 . . . . 0.0 110.476 179.526 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1959 ' ' GLU . . . . . . . . . . . . . 30.7 mm-40 -79.98 -28.66 39.5 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.296 0.569 . . . . 0.0 109.973 173.544 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1960 ' ' LYS . . . . . 0.794 ' HD3' ' HB3' ' A' 1922 ' ' GLU . 27.5 ttmt -74.79 -35.92 62.5 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.549 -0.75 . . . . 0.0 110.476 -176.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1961 ' ' VAL . . . . . 0.773 HG23 ' HB2' ' A' 1865 ' ' ALA . 14.8 m -66.22 -33.54 64.18 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.156 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 174.124 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1962 ' ' SER . . . . . 0.457 ' HA ' HD13 ' A' 1965 ' ' LEU . 44.5 m -68.37 -26.31 65.52 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.09 177.743 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1963 ' ' HIS . . . . . . . . . . . . . 60.1 m170 -76.61 -25.04 53.46 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.213 177.625 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1964 ' ' VAL . . . . . 0.553 ' O ' HD23 ' A' 1968 ' ' LEU . 91.3 t -68.88 -45.97 79.87 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.259 0 N-CA-C 108.796 -0.816 . . . . 0.0 108.796 171.027 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1965 ' ' LEU . . . . . 0.558 ' HG ' ' O ' ' A' 1961 ' ' VAL . 49.0 mt -53.39 -46.79 69.82 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.165 -0.925 . . . . 0.0 110.745 179.257 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1966 ' ' ALA . . . . . . . . . . . . . . . -71.62 -39.14 70.64 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.851 179.883 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1967 ' ' ALA . . . . . . . . . . . . . . . -59.6 -43.35 93.75 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-O 120.874 0.369 . . . . 0.0 111.94 -176.5 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1968 ' ' LEU . . . . . 0.654 ' HB3' ' HG3' ' A' 1854 ' ' GLN . 4.0 mm? -74.2 -19.15 60.63 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.947 -176.914 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1969 ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -96.76 15.8 20.94 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.983 0.42 . . . . 0.0 110.345 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1970 ' ' ALA . . . . . . . . . . . . . . . -90.09 166.17 13.57 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.787 179.463 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1971 ' ' GLY . . . . . . . . . . . . . . . 102.81 -129.92 10.06 Favored Glycine 0 N--CA 1.446 -0.676 0 C-N-CA 120.835 -0.698 . . . . 0.0 112.194 179.049 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1972 ' ' ASN . . . . . . . . . . . . . 44.7 t30 -114.51 -36.09 4.7 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.881 0.372 . . . . 0.0 110.691 -178.602 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1973 ' ' ARG . . . . . 0.491 ' NE ' ' HA ' ' A' 1973 ' ' ARG . 0.2 OUTLIER . . . . . 0 C--O 1.248 1.021 0 CA-C-O 118.644 -0.693 . . . . 0.0 110.498 -176.077 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1837 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.872 0 N-CA-C 112.019 -0.432 . . . . 0.0 112.019 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A 1838 ' ' ILE . . . . . 0.412 HD13 ' N ' ' A' 1838 ' ' ILE . 4.0 mp -97.92 102.06 12.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 N-CA-C 109.613 -0.514 . . . . 0.0 109.613 178.568 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1839 ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -105.39 157.82 33.59 Favored Pre-proline 0 C--N 1.322 -0.599 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.75 -176.841 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1840 ' ' PRO . . . . . . . . . . . . . 86.3 Cg_exo -46.62 -40.61 23.95 Favored 'Trans proline' 0 C--N 1.349 0.561 0 C-N-CA 123.719 2.946 . . . . 0.0 113.911 -176.563 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1841 ' ' PHE . . . . . . . . . . . . . 73.1 m-85 -118.1 33.49 5.61 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.742 0.306 . . . . 0.0 110.99 -177.111 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1842 ' ' THR . . . . . . . . . . . . . 34.9 p 58.93 27.55 16.4 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-N 115.445 -0.798 . . . . 0.0 112.637 173.539 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1843 ' ' MET . . . . . . . . . . . . . 67.9 mtm 64.35 -170.99 0.18 Allowed 'General case' 0 N--CA 1.468 0.425 0 CA-C-O 121.309 0.576 . . . . 0.0 111.645 177.248 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1844 ' ' GLY . . . . . . . . . . . . . . . -136.42 -107.07 0.84 Allowed Glycine 0 N--CA 1.444 -0.769 0 N-CA-C 110.753 -0.939 . . . . 0.0 110.753 176.263 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1845 ' ' ASP . . . . . . . . . . . . . 22.7 m-20 66.59 115.92 0.03 OUTLIER Pre-proline 0 N--CA 1.465 0.3 0 C-N-CA 123.025 0.53 . . . . 0.0 111.966 175.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1846 ' ' PRO . . . . . . . . . . . . . 21.9 Cg_exo -65.13 -19.14 63.0 Favored 'Trans proline' 0 C--N 1.341 0.138 0 C-N-CA 122.932 2.421 . . . . 0.0 112.025 -179.287 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1847 ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -104.83 2.64 30.26 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.661 -0.699 . . . . 0.0 111.127 -178.029 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1848 ' ' GLY . . . . . . . . . . . . . . . 74.43 -99.29 1.08 Allowed Glycine 0 N--CA 1.451 -0.31 0 CA-C-N 115.967 -0.561 . . . . 0.0 112.087 179.237 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1849 ' ' SER . . . . . . . . . . . . . 2.9 p -141.86 52.49 1.5 Allowed 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.187 0.518 . . . . 0.0 110.584 175.273 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1850 ' ' PHE . . . . . . . . . . . . . 77.9 t80 -66.3 -28.07 68.4 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 108.726 -0.842 . . . . 0.0 108.726 173.459 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1851 ' ' VAL . . . . . . . . . . . . . 19.6 t -56.55 -44.61 81.17 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.918 0 CA-C-N 115.076 -0.965 . . . . 0.0 110.451 173.036 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1852 ' ' ASP . . . . . . . . . . . . . 15.2 t70 -59.82 -49.71 76.64 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.89 -0.595 . . . . 0.0 111.132 177.244 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1853 ' ' TYR . . . . . 0.487 ' O ' ' HG2' ' A' 1857 ' ' MET . 24.8 m-85 -63.28 -41.88 99.04 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.566 -179.713 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1854 ' ' GLN . . . . . 0.89 ' HG3' ' HB3' ' A' 1968 ' ' LEU . 6.2 tt0 -56.93 -57.1 13.98 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.646 176.909 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1855 ' ' THR . . . . . 0.56 ' O ' ' HG2' ' A' 1859 ' ' ARG . 35.0 m -57.19 -44.2 83.39 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.732 -0.667 . . . . 0.0 112.239 -174.647 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1856 ' ' THR . . . . . 0.512 HG23 ' N ' ' A' 1857 ' ' MET . 14.2 t -62.41 -45.08 94.73 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 120.971 -0.292 . . . . 0.0 111.688 -175.343 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1857 ' ' MET . . . . . 0.512 ' N ' HG23 ' A' 1856 ' ' THR . 11.9 ptm -82.38 -24.08 34.65 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 120.722 -0.391 . . . . 0.0 111.792 -174.936 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1858 ' ' VAL . . . . . 0.454 HG12 ' O ' ' A' 1854 ' ' GLN . 27.4 m -73.42 -34.86 44.24 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.17 0 C-N-CA 119.799 -0.761 . . . . 0.0 109.986 174.937 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1859 ' ' ARG . . . . . 0.56 ' HG2' ' O ' ' A' 1855 ' ' THR . 37.0 mmt180 -61.55 -40.89 96.34 Favored 'General case' 0 N--CA 1.463 0.216 0 N-CA-C 109.255 -0.646 . . . . 0.0 109.255 172.636 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1860 ' ' THR . . . . . . . . . . . . . 32.8 m -66.3 -42.85 87.73 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.046 -0.979 . . . . 0.0 111.202 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1861 ' ' ALA . . . . . . . . . . . . . . . -59.4 -42.1 90.98 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.962 0.411 . . . . 0.0 110.76 178.585 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1862 ' ' LYS . . . . . . . . . . . . . 50.8 mttm -66.35 -38.19 87.04 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.303 178.111 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1863 ' ' ALA . . . . . . . . . . . . . . . -66.7 -38.01 85.87 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.775 177.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1864 ' ' ILE . . . . . 0.555 ' O ' HG11 ' A' 1868 ' ' VAL . 68.3 mt -64.39 -47.81 87.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.123 175.375 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1865 ' ' ALA . . . . . 0.74 ' HB1' HG22 ' A' 1961 ' ' VAL . . . -57.28 -49.52 75.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.973 -178.598 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1866 ' ' VAL . . . . . . . . . . . . . 12.3 p -64.58 -27.52 42.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 C-N-CA 120.787 -0.365 . . . . 0.0 110.67 -179.007 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1867 ' ' THR . . . . . 0.643 ' O ' ' HG3' ' A' 1871 ' ' MET . 85.4 m -66.51 -51.4 57.1 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-N 116.548 -0.296 . . . . 0.0 110.572 176.192 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1868 ' ' VAL . . . . . 0.555 HG11 ' O ' ' A' 1864 ' ' ILE . 1.6 m -65.17 -29.64 47.91 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.186 0 CA-C-O 121.745 0.784 . . . . 0.0 109.9 -178.835 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1869 ' ' GLN . . . . . . . . . . . . . 7.3 tp-100 -74.25 -27.04 60.57 Favored 'General case' 0 N--CA 1.425 -1.722 0 CA-C-N 114.779 -1.101 . . . . 0.0 110.225 179.853 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1870 ' ' GLU . . . . . 0.511 ' O ' ' HG2' ' A' 1874 ' ' LYS . 30.7 mt-10 -74.61 -39.62 62.05 Favored 'General case' 0 C--O 1.221 -0.406 0 N-CA-C 109.726 -0.472 . . . . 0.0 109.726 169.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1871 ' ' MET . . . . . 0.643 ' HG3' ' O ' ' A' 1867 ' ' THR . 43.4 mtp -56.03 -42.1 75.98 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.207 -177.643 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1872 ' ' VAL . . . . . 0.42 HG11 ' HA ' ' A' 1951 ' ' ILE . 15.6 m -72.31 -32.15 41.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.785 0.326 . . . . 0.0 111.47 177.643 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1873 ' ' THR . . . . . . . . . . . . . 90.0 m -71.94 -38.11 69.87 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.218 0.533 . . . . 0.0 110.38 178.254 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1874 ' ' LYS . . . . . 0.511 ' HG2' ' O ' ' A' 1870 ' ' GLU . 73.0 mmtt -68.49 -61.02 2.01 Favored 'General case' 0 C--O 1.214 -0.764 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.333 175.437 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1875 ' ' SER . . . . . . . . . . . . . 19.7 p -49.24 -28.91 5.06 Favored 'General case' 0 N--CA 1.472 0.637 0 N-CA-C 113.715 1.006 . . . . 0.0 113.715 -169.718 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1876 ' ' ASN . . . . . 0.409 ' HA ' ' HD2' ' A' 1947 ' ' LYS . 7.7 m-80 -58.37 -41.7 85.34 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 111.654 0.242 . . . . 0.0 111.654 178.637 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1877 ' ' THR . . . . . . . . . . . . . 53.1 p -121.51 -23.31 5.66 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.419 0.628 . . . . 0.0 111.539 -177.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1878 ' ' SER . . . . . . . . . . . . . 12.6 m -122.63 105.32 35.86 Favored Pre-proline 0 N--CA 1.439 -1.001 0 CA-C-N 115.237 -0.892 . . . . 0.0 111.853 -166.305 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1879 ' ' PRO . . . . . 0.473 ' HA ' HD11 ' A' 1882 ' ' LEU . 6.3 Cg_exo -79.85 -31.78 1.75 Allowed 'Trans proline' 0 N--CA 1.454 -0.837 0 C-N-CA 122.444 2.096 . . . . 0.0 111.167 172.608 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1880 ' ' GLU . . . . . . . . . . . . . 19.9 mt-10 -71.23 -41.91 69.56 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.041 -0.981 . . . . 0.0 111.118 -172.259 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1881 ' ' GLU . . . . . 0.441 ' CB ' ' HD2' ' A' 1874 ' ' LYS . 12.3 mm-40 -62.42 -14.96 46.28 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.534 -0.757 . . . . 0.0 111.814 -177.711 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1882 ' ' LEU . . . . . 0.473 HD11 ' HA ' ' A' 1879 ' ' PRO . 50.2 mt -76.32 -16.93 59.66 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.647 -177.141 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1883 ' ' GLY . . . . . 0.407 ' HA2' ' NE2' ' A' 1938 ' ' GLN . . . -64.72 -61.65 5.71 Favored Glycine 0 N--CA 1.453 -0.188 0 C-N-CA 120.818 -0.706 . . . . 0.0 112.684 178.925 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1884 ' ' PRO . . . . . . . . . . . . . 16.1 Cg_endo -59.4 -33.18 97.49 Favored 'Trans proline' 0 N--CA 1.461 -0.395 0 C-N-CA 122.449 2.099 . . . . 0.0 112.255 177.746 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1885 ' ' LEU . . . . . 0.405 ' HB3' ' HG2' ' A' 1871 ' ' MET . 69.6 mt -70.41 -41.63 72.7 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 111.843 0.312 . . . . 0.0 111.843 -178.387 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1886 ' ' ALA . . . . . . . . . . . . . . . -62.82 -43.33 99.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.189 0.519 . . . . 0.0 110.404 179.071 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1887 ' ' ASN . . . . . . . . . . . . . 86.6 m-20 -65.47 -39.84 92.46 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.02 175.685 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1888 ' ' GLN . . . . . . . . . . . . . 31.1 tp60 -63.15 -48.11 79.86 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.283 -178.602 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1889 ' ' LEU . . . . . 0.474 HD13 ' SD ' ' A' 1871 ' ' MET . 0.7 OUTLIER -58.16 -47.82 82.2 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.412 0.625 . . . . 0.0 109.317 177.968 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A 1890 ' ' THR . . . . . . . . . . . . . 87.1 m -58.19 -41.99 85.14 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.272 -0.876 . . . . 0.0 111.454 179.752 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1891 ' ' SER . . . . . . . . . . . . . 50.7 m -64.63 -48.64 74.12 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.516 -179.46 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1892 ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -71.85 -27.76 63.1 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 112.156 0.428 . . . . 0.0 112.156 -174.659 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1893 ' ' TYR . . . . . . . . . . . . . 44.9 t80 -61.09 -38.41 86.2 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.382 -0.527 . . . . 0.0 110.44 176.673 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1894 ' ' GLY . . . . . . . . . . . . . . . -63.27 -33.63 87.78 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.813 -0.708 . . . . 0.0 111.872 177.154 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1895 ' ' ARG . . . . . . . . . . . . . 34.4 ttm180 -69.02 -37.45 78.64 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.11 0.481 . . . . 0.0 110.361 176.587 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1896 ' ' LEU . . . . . 0.486 HD12 HG13 ' A' 1964 ' ' VAL . 57.1 tp -71.43 -53.17 14.9 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.451 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1897 ' ' ALA . . . . . . . . . . . . . . . -63.71 -24.83 67.93 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.925 -0.58 . . . . 0.0 112.234 -173.385 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1898 ' ' SER . . . . . . . . . . . . . 8.8 p -79.87 -24.8 40.98 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.757 0.313 . . . . 0.0 111.001 -176.27 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1899 ' ' GLN . . . . . 0.478 ' HA ' ' OE1' ' A' 1899 ' ' GLN . 12.2 mm-40 -83.81 -11.64 56.75 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.589 179.873 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1900 ' ' ALA . . . . . . . . . . . . . . . -67.68 -24.17 65.38 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.681 176.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1901 ' ' LYS . . . . . 0.7 ' HB3' ' HD3' ' A' 1902 ' ' PRO . 24.1 tptm -75.22 -56.55 1.92 Allowed Pre-proline 0 CA--C 1.542 0.659 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.609 -178.767 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1902 ' ' PRO . . . . . 0.7 ' HD3' ' HB3' ' A' 1901 ' ' LYS . 23.3 Cg_exo -64.98 -30.25 57.06 Favored 'Trans proline' 0 C--N 1.358 1.073 0 C-N-CA 121.986 1.791 . . . . 0.0 112.156 -179.867 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1903 ' ' ALA . . . . . . . . . . . . . . . -70.57 -27.0 63.8 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.685 178.691 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1904 ' ' ALA . . . . . . . . . . . . . . . -77.42 -36.14 53.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.644 -178.435 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1905 ' ' VAL . . . . . . . . . . . . . 34.4 m -83.63 -9.07 11.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.184 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1906 ' ' ALA . . . . . . . . . . . . . . . -107.87 1.58 22.83 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.208 0.528 . . . . 0.0 110.594 176.305 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1907 ' ' ALA . . . . . 0.446 ' HB2' ' HB ' ' A' 1912 ' ' ILE . . . -72.04 119.71 16.61 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.894 -179.453 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1908 ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -67.41 -43.53 81.04 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.226 0.536 . . . . 0.0 110.533 179.233 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1909 ' ' ASN . . . . . 0.76 ' HB2' HG13 ' A' 1912 ' ' ILE . 0.9 OUTLIER -97.39 156.2 16.57 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.552 -177.508 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A 1910 ' ' GLU . . . . . . . . . . . . . 30.9 tt0 -62.33 -51.94 65.64 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.969 -179.726 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1911 ' ' GLU . . . . . 0.433 ' HB3' ' CD2' ' A' 1915 ' ' HIS . 32.3 mt-10 -65.25 -28.25 69.22 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.711 -0.677 . . . . 0.0 112.387 -174.19 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1912 ' ' ILE . . . . . 0.76 HG13 ' HB2' ' A' 1909 ' ' ASN . 37.5 mt -56.85 -54.6 27.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 C-N-CA 120.37 -0.532 . . . . 0.0 110.004 -179.762 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1913 ' ' GLY . . . . . . . . . . . . . . . -65.56 -27.89 73.04 Favored Glycine 0 N--CA 1.453 -0.222 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.228 179.656 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1914 ' ' ALA . . . . . . . . . . . . . . . -71.43 -49.57 40.35 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.871 0.367 . . . . 0.0 110.206 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1915 ' ' HIS . . . . . 0.662 ' O ' ' HG2' ' A' 1919 ' ' ARG . 90.0 m-70 -65.92 -39.97 91.03 Favored 'General case' 0 N--CA 1.449 -0.503 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.156 -176.756 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1916 ' ' ILE . . . . . 0.573 HG13 ' O ' ' A' 1912 ' ' ILE . 99.1 mt -54.01 -57.96 4.6 Favored 'Isoleucine or valine' 0 C--O 1.235 0.298 0 CA-C-O 120.744 0.307 . . . . 0.0 111.373 179.837 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1917 ' ' LYS . . . . . . . . . . . . . 52.3 mtmt -67.03 -24.26 65.98 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.033 0.444 . . . . 0.0 111.177 -177.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1918 ' ' HIS . . . . . . . . . . . . . 32.9 t-80 -72.6 -48.68 37.77 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.604 179.38 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1919 ' ' ARG . . . . . 0.841 ' HD2' ' HB3' ' A' 1963 ' ' HIS . 28.4 mmt180 -69.68 -34.46 73.98 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.478 -173.135 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1920 ' ' VAL . . . . . . . . . . . . . 33.1 m -72.74 -24.86 21.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 121.088 0.471 . . . . 0.0 110.684 178.374 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1921 ' ' GLN . . . . . . . . . . . . . 10.1 tt0 -73.17 -34.09 65.82 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-O 121.161 0.505 . . . . 0.0 109.639 177.284 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1922 ' ' GLU . . . . . . . . . . . . . 53.7 mt-10 -61.3 -46.02 92.06 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.039 175.205 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1923 ' ' LEU . . . . . 0.674 ' HG ' ' HB3' ' A' 1960 ' ' LYS . 18.5 mt -64.15 -30.25 71.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.008 177.701 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1924 ' ' GLY . . . . . . . . . . . . . . . -57.2 -38.56 86.86 Favored Glycine 0 N--CA 1.453 -0.202 0 C-N-CA 120.999 -0.62 . . . . 0.0 112.214 178.659 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1925 ' ' HIS . . . . . . . . . . . . . 30.6 m170 -71.27 -54.39 11.06 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.032 0.444 . . . . 0.0 110.204 177.783 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1926 ' ' GLY . . . . . 0.429 ' HA3' HG13 ' A' 1957 ' ' VAL . . . -62.32 -44.84 97.1 Favored Glycine 0 N--CA 1.45 -0.43 0 CA-C-N 115.518 -0.765 . . . . 0.0 113.45 -174.674 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1927 ' ' CYS . . . . . . . . . . . . . 65.9 m -65.0 -41.88 95.0 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.886 0.343 . . . . 0.0 111.223 -176.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1928 ' ' SER . . . . . . . . . . . . . 9.6 t -67.87 -37.34 81.69 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.979 0.419 . . . . 0.0 110.386 -177.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1929 ' ' ALA . . . . . . . . . . . . . . . -72.1 -37.99 69.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.963 0.411 . . . . 0.0 110.619 177.651 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1930 ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -63.81 -49.86 71.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.757 -178.427 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1931 ' ' VAL . . . . . . . . . . . . . 29.6 m -64.79 -27.78 43.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.728 0.299 . . . . 0.0 111.239 -176.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1932 ' ' THR . . . . . . . . . . . . . 46.6 m -68.64 -43.88 75.35 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.866 0.365 . . . . 0.0 110.092 176.747 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1933 ' ' LYS . . . . . . . . . . . . . 43.4 mmtm -69.29 -37.53 77.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.685 176.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1934 ' ' ALA . . . . . . . . . . . . . . . -60.48 -44.1 96.27 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.542 176.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1935 ' ' GLY . . . . . . . . . . . . . . . -68.4 -39.37 87.43 Favored Glycine 0 N--CA 1.449 -0.494 0 C-N-CA 120.909 -0.662 . . . . 0.0 112.207 177.295 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1936 ' ' ALA . . . . . . . . . . . . . . . -64.27 -48.86 74.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.493 0.187 . . . . 0.0 111.233 -179.446 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1937 ' ' LEU . . . . . 0.493 HD23 ' HA ' ' A' 1947 ' ' LYS . 49.7 tp -68.37 -26.54 65.63 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.264 0.554 . . . . 0.0 110.101 179.111 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1938 ' ' GLN . . . . . 0.407 ' NE2' ' HA2' ' A' 1883 ' ' GLY . 6.1 tt0 -65.6 -43.85 88.37 Favored 'General case' 0 N--CA 1.445 -0.683 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.338 179.583 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1939 ' ' CYS . . . . . . . . . . . . . 27.8 p -85.33 -17.84 35.6 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.834 -179.772 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1940 ' ' SER . . . . . . . . . . . . . 48.6 m -136.49 87.76 21.17 Favored Pre-proline 0 C--N 1.325 -0.46 0 CA-C-O 120.836 0.35 . . . . 0.0 111.221 -177.028 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1941 ' ' PRO . . . . . . . . . . . . . 85.3 Cg_endo -86.53 0.83 7.85 Favored 'Trans proline' 0 N--CA 1.463 -0.292 0 C-N-CA 122.905 2.403 . . . . 0.0 113.214 -177.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1942 ' ' SER . . . . . . . . . . . . . 33.6 t -92.88 -1.1 57.04 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.084 0.469 . . . . 0.0 110.116 -179.828 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1943 ' ' ASP . . . . . . . . . . . . . 13.8 t70 -106.4 107.84 19.05 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.419 -179.017 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1944 ' ' VAL . . . . . . . . . . . . . 9.9 p -74.96 -24.22 17.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.676 -177.068 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1945 ' ' TYR . . . . . 0.471 ' O ' ' HG3' ' A' 1949 ' ' GLU . 91.5 m-85 -70.34 -41.95 72.53 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.478 -175.877 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1946 ' ' THR . . . . . 0.49 HG21 ' HB2' ' A' 1937 ' ' LEU . 80.7 m -56.71 -42.79 79.79 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.154 173.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1947 ' ' LYS . . . . . 0.493 ' HA ' HD23 ' A' 1937 ' ' LEU . 30.7 ttpt -63.49 -42.67 98.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.168 177.783 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1948 ' ' LYS . . . . . 0.66 ' O ' ' HG2' ' A' 1952 ' ' GLU . 9.6 mmpt? -59.42 -54.61 44.68 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.335 179.415 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1949 ' ' GLU . . . . . 0.471 ' HG3' ' O ' ' A' 1945 ' ' TYR . 37.3 mt-10 -59.43 -36.38 75.79 Favored 'General case' 0 N--CA 1.462 0.167 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.264 -176.012 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1950 ' ' LEU . . . . . . . . . . . . . 9.6 tt -57.02 -52.69 64.28 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.045 177.064 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1951 ' ' ILE . . . . . 0.42 ' HA ' HG11 ' A' 1872 ' ' VAL . 63.2 mt -68.35 -37.97 78.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.83 -177.77 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1952 ' ' GLU . . . . . 0.66 ' HG2' ' O ' ' A' 1948 ' ' LYS . 26.7 mm-40 -61.6 -30.46 70.7 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-O 121.022 0.439 . . . . 0.0 110.287 178.503 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1953 ' ' CYS . . . . . . . . . . . . . 12.2 t -85.41 -43.4 13.67 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.961 -179.183 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1954 ' ' ALA . . . . . 0.516 ' O ' HG23 ' A' 1957 ' ' VAL . . . -57.06 -39.86 75.73 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.01 -0.541 . . . . 0.0 112.171 -175.473 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1955 ' ' ARG . . . . . 0.459 HH11 ' HD2' ' A' 1955 ' ' ARG . 10.3 ptp85 -64.93 -25.42 67.87 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.879 0.371 . . . . 0.0 111.177 -178.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1956 ' ' ARG . . . . . . . . . . . . . 71.0 mtp180 -77.9 -40.11 40.9 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.739 -176.412 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1957 ' ' VAL . . . . . 0.577 ' O ' HG12 ' A' 1961 ' ' VAL . 12.4 m -67.58 -29.83 46.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 116.488 -0.324 . . . . 0.0 110.876 -175.845 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1958 ' ' SER . . . . . 0.697 ' O ' HG21 ' A' 1961 ' ' VAL . 3.0 m -61.74 -24.29 66.71 Favored 'General case' 0 CA--C 1.53 0.18 0 CA-C-O 121.127 0.489 . . . . 0.0 110.549 177.935 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1959 ' ' GLU . . . . . . . . . . . . . 60.9 mm-40 -73.32 -38.92 65.63 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.057 0.456 . . . . 0.0 109.912 175.572 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1960 ' ' LYS . . . . . 0.674 ' HB3' ' HG ' ' A' 1923 ' ' LEU . 4.3 mptp? -69.09 -30.1 68.32 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.83 -177.91 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1961 ' ' VAL . . . . . 0.74 HG22 ' HB1' ' A' 1865 ' ' ALA . 1.9 m -66.08 -35.26 74.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 N-CA-C 109.44 -0.578 . . . . 0.0 109.44 176.916 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1962 ' ' SER . . . . . 0.581 ' HA ' HD11 ' A' 1965 ' ' LEU . 45.0 t -73.1 -29.05 62.63 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-N 115.581 -0.736 . . . . 0.0 109.363 175.745 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1963 ' ' HIS . . . . . 0.841 ' HB3' ' HD2' ' A' 1919 ' ' ARG . 50.0 m170 -67.24 -38.19 84.78 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.25 177.301 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1964 ' ' VAL . . . . . 0.486 HG13 HD12 ' A' 1896 ' ' LEU . 88.1 t -62.35 -44.17 98.92 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.317 0 N-CA-C 109.553 -0.536 . . . . 0.0 109.553 173.659 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1965 ' ' LEU . . . . . 0.595 ' HG ' ' O ' ' A' 1961 ' ' VAL . 70.7 mt -55.93 -46.34 78.52 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.771 178.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1966 ' ' ALA . . . . . . . . . . . . . . . -74.52 -27.72 60.66 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.766 -179.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1967 ' ' ALA . . . . . . . . . . . . . . . -70.16 -40.17 74.88 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.952 0.406 . . . . 0.0 110.822 179.786 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1968 ' ' LEU . . . . . 0.89 ' HB3' ' HG3' ' A' 1854 ' ' GLN . 4.4 mm? -77.64 -38.63 47.47 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.883 179.383 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1969 ' ' GLN . . . . . . . . . . . . . 48.6 mt-30 -83.06 38.84 0.61 Allowed 'General case' 0 C--O 1.235 0.291 0 CA-C-O 121.292 0.568 . . . . 0.0 110.613 179.113 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1970 ' ' ALA . . . . . 0.417 ' HB2' HG12 ' A' 1912 ' ' ILE . . . -101.54 173.81 6.26 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.31 179.545 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1971 ' ' GLY . . . . . . . . . . . . . . . 98.04 -15.04 62.1 Favored Glycine 0 N--CA 1.448 -0.532 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.052 178.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1972 ' ' ASN . . . . . . . . . . . . . 19.4 m120 -90.83 -34.3 15.33 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.158 0.504 . . . . 0.0 110.193 179.85 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1973 ' ' ARG . . . . . . . . . . . . . 46.7 ttp180 . . . . . 0 C--O 1.25 1.116 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.034 177.594 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A 1837 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.595 0 N-CA-C 111.772 -0.531 . . . . 0.0 111.772 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A 1838 ' ' ILE . . . . . . . . . . . . . 51.4 mm -101.1 97.06 5.26 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-O 120.9 0.381 . . . . 0.0 110.231 178.564 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1839 ' ' ASP . . . . . 0.413 ' HA ' ' HD3' ' A' 1840 ' ' PRO . 1.1 m-20 -105.13 105.48 51.95 Favored Pre-proline 0 C--N 1.324 -0.539 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.367 178.693 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1840 ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' 1839 ' ' ASP . 8.2 Cg_exo -72.29 -18.32 26.74 Favored 'Trans proline' 0 N--CA 1.463 -0.28 0 C-N-CA 122.91 2.407 . . . . 0.0 111.902 -179.475 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1841 ' ' PHE . . . . . . . . . . . . . 84.4 m-85 -137.26 -178.72 5.34 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.899 -0.591 . . . . 0.0 109.552 179.725 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1842 ' ' THR . . . . . . . . . . . . . 58.6 p -100.63 0.35 39.04 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 120.665 0.269 . . . . 0.0 110.768 178.806 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1843 ' ' MET . . . . . . . . . . . . . 49.8 ttp 62.29 98.19 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.181 0 CA-C-N 115.552 -0.749 . . . . 0.0 111.664 179.063 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1844 ' ' GLY . . . . . . . . . . . . . . . -96.87 75.61 0.7 Allowed Glycine 0 N--CA 1.445 -0.726 0 C-N-CA 120.961 -0.638 . . . . 0.0 111.555 178.281 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1845 ' ' ASP . . . . . 0.45 ' HA ' ' HD3' ' A' 1846 ' ' PRO . 9.5 p-10 -64.87 122.78 81.19 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.248 0.547 . . . . 0.0 110.376 -178.508 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1846 ' ' PRO . . . . . 0.544 ' HB2' ' HB3' ' A' 1908 ' ' GLU . 6.3 Cg_exo -74.45 -27.72 10.89 Favored 'Trans proline' 0 N--CA 1.462 -0.363 0 C-N-CA 123.172 2.582 . . . . 0.0 113.491 -174.925 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1847 ' ' GLU . . . . . 0.808 ' HB2' ' HG2' ' A' 1908 ' ' GLU . 25.1 tt0 -111.29 43.15 1.53 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.249 0.547 . . . . 0.0 111.219 -174.113 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1848 ' ' GLY . . . . . 0.416 ' HA3' ' OD2' ' A' 1845 ' ' ASP . . . -103.39 -39.61 2.56 Favored Glycine 0 N--CA 1.45 -0.43 0 C-N-CA 120.539 -0.839 . . . . 0.0 112.716 -178.014 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1849 ' ' SER . . . . . . . . . . . . . 32.0 t -79.06 -7.88 58.49 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.478 0.656 . . . . 0.0 110.063 178.871 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1850 ' ' PHE . . . . . . . . . . . . . 73.6 t80 -55.08 -30.39 59.55 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.232 -0.895 . . . . 0.0 110.382 173.852 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1851 ' ' VAL . . . . . . . . . . . . . 3.5 m -66.15 -27.48 40.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.866 -0.607 . . . . 0.0 111.17 -177.682 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1852 ' ' ASP . . . . . . . . . . . . . 19.4 m-20 -63.24 -56.45 16.52 Favored 'General case' 0 CA--C 1.518 -0.264 0 CA-C-O 121.45 0.643 . . . . 0.0 109.912 179.312 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1853 ' ' TYR . . . . . 0.571 ' O ' ' HG2' ' A' 1857 ' ' MET . 35.4 m-85 -70.44 -35.28 73.27 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.122 -0.945 . . . . 0.0 110.193 -178.236 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1854 ' ' GLN . . . . . 0.827 ' HG3' ' HB3' ' A' 1968 ' ' LEU . 50.6 tt0 -52.83 -53.48 47.98 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.736 176.907 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1855 ' ' THR . . . . . 0.457 ' O ' ' HG2' ' A' 1859 ' ' ARG . 32.8 m -61.23 -42.86 99.35 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.792 -0.64 . . . . 0.0 112.102 -174.4 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1856 ' ' THR . . . . . 0.481 HG23 ' N ' ' A' 1857 ' ' MET . 9.2 t -69.91 -47.05 63.97 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 112.141 0.423 . . . . 0.0 112.141 -173.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1857 ' ' MET . . . . . 0.571 ' HG2' ' O ' ' A' 1853 ' ' TYR . 12.2 ptm -77.06 -23.61 51.98 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 120.783 -0.367 . . . . 0.0 111.843 -172.465 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1858 ' ' VAL . . . . . 0.437 HG13 ' O ' ' A' 1854 ' ' GLN . 25.7 m -72.75 -31.7 37.75 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.11 0 C-N-CA 119.772 -0.771 . . . . 0.0 109.613 173.507 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1859 ' ' ARG . . . . . 0.539 ' HA ' ' HD2' ' A' 1862 ' ' LYS . 23.5 mmm180 -71.74 -38.94 70.38 Favored 'General case' 0 C--N 1.332 -0.168 0 N-CA-C 109.741 -0.466 . . . . 0.0 109.741 174.94 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1860 ' ' THR . . . . . . . . . . . . . 31.8 m -62.73 -41.42 99.16 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.447 177.298 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1861 ' ' ALA . . . . . . . . . . . . . . . -59.8 -40.53 88.69 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.922 177.748 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1862 ' ' LYS . . . . . 0.539 ' HD2' ' HA ' ' A' 1859 ' ' ARG . 44.0 mttm -64.86 -39.47 93.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.413 177.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1863 ' ' ALA . . . . . . . . . . . . . . . -64.33 -38.78 92.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.556 177.711 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1864 ' ' ILE . . . . . 0.611 ' O ' HG13 ' A' 1868 ' ' VAL . 79.2 mt -64.78 -48.5 84.24 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.031 174.615 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1865 ' ' ALA . . . . . 0.77 ' HB2' HG23 ' A' 1961 ' ' VAL . . . -56.29 -45.92 80.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.907 -0.588 . . . . 0.0 112.285 -177.853 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1866 ' ' VAL . . . . . . . . . . . . . 13.1 p -67.59 -32.03 55.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 C-N-CA 120.759 -0.376 . . . . 0.0 110.31 -179.411 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1867 ' ' THR . . . . . 0.667 ' O ' ' HG3' ' A' 1871 ' ' MET . 96.0 m -66.12 -50.65 63.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.538 178.232 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1868 ' ' VAL . . . . . 0.611 HG13 ' O ' ' A' 1864 ' ' ILE . 2.1 m -62.1 -30.73 49.37 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.233 0 CA-C-O 121.504 0.669 . . . . 0.0 110.053 -179.492 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1869 ' ' GLN . . . . . . . . . . . . . 9.0 tp-100 -76.08 -27.86 57.34 Favored 'General case' 0 N--CA 1.425 -1.721 0 CA-C-N 115.143 -0.935 . . . . 0.0 110.291 -179.009 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1870 ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -75.84 -40.05 55.53 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.132 172.144 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1871 ' ' MET . . . . . 0.667 ' HG3' ' O ' ' A' 1867 ' ' THR . 60.9 mtp -58.04 -45.62 86.7 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.989 -178.37 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1872 ' ' VAL . . . . . 0.451 ' HB ' HG13 ' A' 1951 ' ' ILE . 28.9 m -69.79 -33.62 56.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.432 179.389 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1873 ' ' THR . . . . . . . . . . . . . 89.4 m -68.37 -51.04 48.66 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.0 0.429 . . . . 0.0 110.384 177.109 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1874 ' ' LYS . . . . . . . . . . . . . 71.0 mmtt -62.34 -34.92 77.58 Favored 'General case' 0 C--O 1.217 -0.628 0 CA-C-N 115.46 -0.791 . . . . 0.0 111.689 -176.589 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1875 ' ' SER . . . . . . . . . . . . . 93.2 p -55.58 -20.39 13.34 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 112.702 0.63 . . . . 0.0 112.702 -173.404 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1876 ' ' ASN . . . . . . . . . . . . . 48.1 m-80 -84.9 -24.3 28.53 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 111.522 0.194 . . . . 0.0 111.522 -177.459 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1877 ' ' THR . . . . . . . . . . . . . 50.0 p -120.29 -28.6 5.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.202 0.525 . . . . 0.0 111.818 -177.358 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1878 ' ' SER . . . . . 0.447 ' O ' HD12 ' A' 1882 ' ' LEU . 4.7 m -134.84 116.09 12.43 Favored Pre-proline 0 CA--C 1.506 -0.721 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.685 -171.678 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1879 ' ' PRO . . . . . 0.749 ' HA ' HD12 ' A' 1882 ' ' LEU . 6.2 Cg_exo -82.15 -29.21 1.66 Allowed 'Trans proline' 0 N--CA 1.445 -1.35 0 C-N-CA 121.93 1.754 . . . . 0.0 110.286 162.204 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1880 ' ' GLU . . . . . . . . . . . . . 69.0 mm-40 -56.56 -58.09 9.56 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.023 -0.989 . . . . 0.0 112.079 -176.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1881 ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -61.27 -13.91 22.34 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-N 116.155 -0.475 . . . . 0.0 112.261 -177.673 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1882 ' ' LEU . . . . . 0.749 HD12 ' HA ' ' A' 1879 ' ' PRO . 9.6 mt -72.7 -22.81 60.84 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 112.083 0.401 . . . . 0.0 112.083 -175.852 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1883 ' ' GLY . . . . . . . . . . . . . . . -66.14 -60.74 6.09 Favored Glycine 0 CA--C 1.517 0.197 0 C-N-CA 120.704 -0.76 . . . . 0.0 111.998 178.69 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1884 ' ' PRO . . . . . . . . . . . . . 11.3 Cg_endo -57.13 -37.37 98.36 Favored 'Trans proline' 0 C--N 1.346 0.417 0 C-N-CA 122.503 2.135 . . . . 0.0 112.428 175.507 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1885 ' ' LEU . . . . . 0.624 ' HB3' ' HG2' ' A' 1871 ' ' MET . 38.4 mt -61.51 -41.4 97.25 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-O 120.556 0.217 . . . . 0.0 111.38 179.494 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1886 ' ' ALA . . . . . . . . . . . . . . . -63.72 -45.81 88.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.977 0.418 . . . . 0.0 110.626 178.029 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1887 ' ' ASN . . . . . . . . . . . . . 57.8 t30 -63.94 -38.0 89.48 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.086 177.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1888 ' ' GLN . . . . . . . . . . . . . 31.6 tp60 -62.26 -50.65 70.87 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.343 -0.844 . . . . 0.0 111.059 -179.314 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1889 ' ' LEU . . . . . 0.58 HD21 ' SG ' ' A' 1927 ' ' CYS . 1.3 tt -57.65 -43.33 84.84 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 178.526 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1890 ' ' THR . . . . . . . . . . . . . 87.1 m -60.92 -45.03 96.27 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.277 -0.874 . . . . 0.0 111.904 -178.237 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1891 ' ' SER . . . . . . . . . . . . . 63.0 m -68.3 -44.2 75.97 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 111.945 0.35 . . . . 0.0 111.945 -177.05 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1892 ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -67.22 -29.33 68.95 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.993 -0.283 . . . . 0.0 111.287 -178.692 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1893 ' ' TYR . . . . . . . . . . . . . 50.1 t80 -61.39 -37.71 84.41 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 120.919 -0.312 . . . . 0.0 110.428 174.657 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1894 ' ' GLY . . . . . . . . . . . . . . . -60.23 -37.61 93.25 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.897 -0.668 . . . . 0.0 111.684 178.522 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1895 ' ' ARG . . . . . 0.463 ' O ' ' HG2' ' A' 1899 ' ' GLN . 73.3 ttt180 -66.26 -46.67 76.28 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.018 0.437 . . . . 0.0 110.179 176.23 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1896 ' ' LEU . . . . . 0.442 HD11 ' HB2' ' A' 1857 ' ' MET . 49.9 tp -57.08 -48.83 77.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.469 -0.787 . . . . 0.0 111.283 179.401 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1897 ' ' ALA . . . . . . . . . . . . . . . -63.96 -24.24 67.65 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.607 -178.059 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1898 ' ' SER . . . . . . . . . . . . . 44.9 t -80.44 -19.91 45.03 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.021 0.438 . . . . 0.0 110.099 -177.249 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1899 ' ' GLN . . . . . 0.463 ' HG2' ' O ' ' A' 1895 ' ' ARG . 62.6 mm-40 -89.15 -24.16 22.27 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.85 -0.614 . . . . 0.0 109.835 178.92 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1900 ' ' ALA . . . . . . . . . . . . . . . -65.24 -36.32 83.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.648 -178.524 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1901 ' ' LYS . . . . . 0.65 ' HB3' ' HD3' ' A' 1902 ' ' PRO . 0.4 OUTLIER -62.4 -58.24 18.33 Favored Pre-proline 0 CA--C 1.541 0.613 0 CA-C-N 116.416 -0.357 . . . . 0.0 111.702 -179.297 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A 1902 ' ' PRO . . . . . 0.65 ' HD3' ' HB3' ' A' 1901 ' ' LYS . 7.9 Cg_exo -72.34 -26.08 17.74 Favored 'Trans proline' 0 C--N 1.352 0.739 0 C-N-CA 121.778 1.652 . . . . 0.0 112.522 -176.94 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1903 ' ' ALA . . . . . . . . . . . . . . . -68.47 -31.23 70.36 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.978 0.418 . . . . 0.0 110.658 178.719 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1904 ' ' ALA . . . . . . . . . . . . . . . -71.35 -30.06 65.72 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.451 -177.708 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1905 ' ' VAL . . . . . . . . . . . . . 28.8 m -96.42 -13.06 8.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.828 178.548 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1906 ' ' ALA . . . . . . . . . . . . . . . -78.18 -37.5 45.61 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.092 176.552 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1907 ' ' ALA . . . . . 0.654 ' HA ' ' HG3' ' A' 1847 ' ' GLU . . . -71.82 146.72 47.82 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.113 175.726 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1908 ' ' GLU . . . . . 0.808 ' HG2' ' HB2' ' A' 1847 ' ' GLU . 9.3 pt-20 -97.71 -12.75 21.98 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 120.931 0.396 . . . . 0.0 110.275 -179.644 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1909 ' ' ASN . . . . . . . . . . . . . 46.4 t-20 -96.52 136.08 37.53 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.048 -0.524 . . . . 0.0 109.931 177.573 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1910 ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -55.37 -53.16 59.63 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.607 -0.724 . . . . 0.0 111.162 178.413 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1911 ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -60.04 -44.2 94.83 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.858 -172.779 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1912 ' ' ILE . . . . . 0.537 ' O ' HG13 ' A' 1916 ' ' ILE . 59.1 mt -57.19 -53.76 39.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-O 120.713 0.292 . . . . 0.0 110.541 -177.375 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1913 ' ' GLY . . . . . 0.529 ' HA2' HD13 ' A' 1916 ' ' ILE . . . -69.31 -24.89 75.88 Favored Glycine 0 N--CA 1.449 -0.498 0 C-N-CA 120.854 -0.689 . . . . 0.0 112.325 -179.272 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1914 ' ' ALA . . . . . . . . . . . . . . . -73.4 -50.07 23.74 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.706 0.289 . . . . 0.0 110.354 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1915 ' ' HIS . . . . . 0.538 ' O ' ' HG2' ' A' 1919 ' ' ARG . 84.3 m-70 -57.67 -40.68 79.92 Favored 'General case' 0 CA--C 1.516 -0.344 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.907 -178.72 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1916 ' ' ILE . . . . . 0.537 HG13 ' O ' ' A' 1912 ' ' ILE . 99.7 mt -50.75 -52.03 18.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.799 177.5 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1917 ' ' LYS . . . . . . . . . . . . . 36.3 mtmm -71.43 -28.4 63.96 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.333 -176.663 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1918 ' ' HIS . . . . . . . . . . . . . 71.0 m-70 -74.54 -33.88 62.85 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.857 0.36 . . . . 0.0 111.169 178.813 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1919 ' ' ARG . . . . . 0.555 ' HD2' ' HB3' ' A' 1963 ' ' HIS . 28.2 mmt180 -80.92 -33.07 34.4 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.715 -175.145 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1920 ' ' VAL . . . . . . . . . . . . . 34.1 m -70.73 -27.47 30.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-O 121.253 0.549 . . . . 0.0 109.526 173.733 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1921 ' ' GLN . . . . . . . . . . . . . 29.9 tt0 -64.52 -40.98 96.64 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-N 115.437 -0.801 . . . . 0.0 110.079 176.077 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1922 ' ' GLU . . . . . 1.052 ' HB3' ' HD3' ' A' 1960 ' ' LYS . 30.3 mt-10 -58.18 -50.75 72.44 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.48 174.801 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1923 ' ' LEU . . . . . . . . . . . . . 40.8 mt -64.4 -32.37 73.96 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.603 -0.726 . . . . 0.0 111.64 -177.645 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1924 ' ' GLY . . . . . . . . . . . . . . . -59.73 -52.77 51.02 Favored Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 120.575 -0.822 . . . . 0.0 112.09 176.612 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1925 ' ' HIS . . . . . . . . . . . . . 39.8 m80 -68.43 -40.32 81.22 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.806 0.336 . . . . 0.0 110.635 -179.466 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1926 ' ' GLY . . . . . . . . . . . . . . . -64.96 -40.67 97.33 Favored Glycine 0 N--CA 1.449 -0.446 0 C-N-CA 120.909 -0.663 . . . . 0.0 112.34 179.14 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1927 ' ' CYS . . . . . 0.58 ' SG ' HD21 ' A' 1889 ' ' LEU . 40.8 t -64.06 -47.17 81.21 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 110.377 -0.231 . . . . 0.0 110.377 178.679 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1928 ' ' SER . . . . . . . . . . . . . 12.6 t -59.28 -36.08 74.89 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.638 -178.638 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1929 ' ' ALA . . . . . . . . . . . . . . . -72.15 -46.58 55.91 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.849 0.357 . . . . 0.0 110.783 176.746 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1930 ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.94 -47.43 84.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.155 -176.833 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1931 ' ' VAL . . . . . . . . . . . . . 30.2 m -64.82 -27.79 43.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.701 0.286 . . . . 0.0 111.255 -177.116 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1932 ' ' THR . . . . . . . . . . . . . 55.6 m -72.59 -40.92 66.19 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.9 0.381 . . . . 0.0 110.083 176.08 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1933 ' ' LYS . . . . . . . . . . . . . 74.4 mmtt -68.82 -37.91 79.52 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.834 178.509 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1934 ' ' ALA . . . . . . . . . . . . . . . -60.6 -48.17 82.98 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.5 177.195 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1935 ' ' GLY . . . . . . . . . . . . . . . -65.35 -39.15 95.7 Favored Glycine 0 N--CA 1.449 -0.475 0 C-N-CA 120.895 -0.669 . . . . 0.0 111.765 177.483 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1936 ' ' ALA . . . . . . . . . . . . . . . -62.09 -44.43 96.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.483 0.183 . . . . 0.0 111.226 179.364 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1937 ' ' LEU . . . . . . . . . . . . . 35.0 tp -68.35 -32.18 72.09 Favored 'General case' 0 CA--C 1.513 -0.465 0 CA-C-O 120.943 0.401 . . . . 0.0 110.523 179.519 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1938 ' ' GLN . . . . . . . . . . . . . 36.1 tt0 -68.06 -26.61 65.93 Favored 'General case' 0 N--CA 1.446 -0.662 0 CA-C-O 121.2 0.524 . . . . 0.0 110.273 179.483 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1939 ' ' CYS . . . . . . . . . . . . . 62.2 m -83.38 -32.71 26.04 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.685 176.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1940 ' ' SER . . . . . . . . . . . . . 22.0 m -124.63 75.73 63.83 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.706 178.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1941 ' ' PRO . . . . . . . . . . . . . 26.9 Cg_exo -63.93 -24.65 67.41 Favored 'Trans proline' 0 C--N 1.345 0.345 0 C-N-CA 122.929 2.419 . . . . 0.0 113.438 -175.507 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1942 ' ' SER . . . . . . . . . . . . . 17.4 m -89.34 0.81 56.54 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.792 0.33 . . . . 0.0 111.483 -178.046 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1943 ' ' ASP . . . . . . . . . . . . . 19.4 t70 -93.71 110.4 22.03 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.919 0.39 . . . . 0.0 110.531 -178.079 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1944 ' ' VAL . . . . . . . . . . . . . 7.8 p -75.18 -28.01 20.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.845 -177.564 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1945 ' ' TYR . . . . . . . . . . . . . 77.0 m-85 -61.3 -47.74 84.57 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.297 -177.735 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1946 ' ' THR . . . . . . . . . . . . . 50.9 m -61.2 -40.13 92.8 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.396 -0.82 . . . . 0.0 110.925 177.346 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1947 ' ' LYS . . . . . . . . . . . . . 29.7 ttpt -66.16 -40.7 90.73 Favored 'General case' 0 N--CA 1.453 -0.283 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.195 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1948 ' ' LYS . . . . . 0.539 ' HE2' ' HA ' ' A' 1948 ' ' LYS . 9.4 mmpt? -57.48 -46.14 84.03 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.409 179.292 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1949 ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -62.31 -34.85 77.41 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.955 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1950 ' ' LEU . . . . . . . . . . . . . 6.4 tt -61.54 -49.42 76.74 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.623 -0.51 . . . . 0.0 109.623 178.387 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1951 ' ' ILE . . . . . 0.451 HG13 ' HB ' ' A' 1872 ' ' VAL . 1.8 mp -63.88 -44.13 97.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.47 177.649 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1952 ' ' GLU . . . . . 0.609 ' O ' ' HG3' ' A' 1956 ' ' ARG . 46.6 mt-10 -64.42 -30.57 71.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.411 -178.783 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1953 ' ' CYS . . . . . . . . . . . . . 33.5 t -81.32 -37.8 27.78 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.719 0.295 . . . . 0.0 110.897 179.759 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1954 ' ' ALA . . . . . . . . . . . . . . . -66.27 -36.46 83.03 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.837 0.351 . . . . 0.0 111.4 -178.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1955 ' ' ARG . . . . . 0.408 ' HA ' ' HG ' ' A' 1958 ' ' SER . 35.7 ptt180 -67.0 -25.15 66.16 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.795 0.331 . . . . 0.0 110.141 177.735 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1956 ' ' ARG . . . . . 0.609 ' HG3' ' O ' ' A' 1952 ' ' GLU . 89.2 mtt180 -74.82 -41.27 60.25 Favored 'General case' 0 C--O 1.219 -0.548 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.416 178.301 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1957 ' ' VAL . . . . . 0.552 ' O ' HG11 ' A' 1961 ' ' VAL . 11.9 m -80.83 -27.3 11.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 C-N-CA 120.674 -0.41 . . . . 0.0 111.545 -176.064 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1958 ' ' SER . . . . . 0.542 ' O ' HG22 ' A' 1961 ' ' VAL . 32.9 p -69.16 -24.02 64.02 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.622 0.248 . . . . 0.0 111.456 -176.446 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1959 ' ' GLU . . . . . 0.42 ' HG3' ' O ' ' A' 1956 ' ' ARG . 0.7 OUTLIER -80.39 -27.07 38.23 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 121.028 0.442 . . . . 0.0 110.254 170.921 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A 1960 ' ' LYS . . . . . 1.052 ' HD3' ' HB3' ' A' 1922 ' ' GLU . 52.7 mttm -76.84 -29.03 55.71 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.735 -176.533 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1961 ' ' VAL . . . . . 0.77 HG23 ' HB2' ' A' 1865 ' ' ALA . 3.2 m -66.14 -33.22 62.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 N-CA-C 108.714 -0.847 . . . . 0.0 108.714 171.848 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1962 ' ' SER . . . . . 0.629 ' HA ' HD13 ' A' 1965 ' ' LEU . 14.5 m -72.59 -25.67 61.41 Favored 'General case' 0 N--CA 1.45 -0.474 0 CA-C-N 115.204 -0.907 . . . . 0.0 109.877 176.434 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1963 ' ' HIS . . . . . 0.555 ' HB3' ' HD2' ' A' 1919 ' ' ARG . 65.6 m170 -72.77 -31.15 64.68 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.724 -0.671 . . . . 0.0 109.99 177.472 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1964 ' ' VAL . . . . . . . . . . . . . 91.7 t -65.76 -45.56 91.41 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.177 0 N-CA-C 108.745 -0.835 . . . . 0.0 108.745 172.06 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1965 ' ' LEU . . . . . 0.629 HD13 ' HA ' ' A' 1962 ' ' SER . 59.5 mt -54.51 -46.18 73.46 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.251 -0.886 . . . . 0.0 110.451 176.73 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1966 ' ' ALA . . . . . . . . . . . . . . . -69.36 -41.47 76.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.911 -179.589 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1967 ' ' ALA . . . . . . . . . . . . . . . -61.44 -44.95 96.22 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.894 0.378 . . . . 0.0 111.34 -179.776 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1968 ' ' LEU . . . . . 0.827 ' HB3' ' HG3' ' A' 1854 ' ' GLN . 4.3 mm? -72.41 -31.94 65.93 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.05 0.452 . . . . 0.0 110.847 179.761 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1969 ' ' GLN . . . . . . . . . . . . . 47.5 mt-30 -88.62 15.2 8.45 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.88 0.372 . . . . 0.0 110.982 178.862 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1970 ' ' ALA . . . . . . . . . . . . . . . -81.59 -14.14 57.13 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.15 176.575 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1971 ' ' GLY . . . . . . . . . . . . . . . -107.86 -49.52 0.83 Allowed Glycine 0 N--CA 1.449 -0.443 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.583 175.787 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1972 ' ' ASN . . . . . 0.703 ' HB2' HE22 ' A' 1854 ' ' GLN . 15.2 m120 -105.66 103.99 13.61 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 175.151 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1973 ' ' ARG . . . . . 0.425 ' HD2' ' N ' ' A' 1973 ' ' ARG . 2.5 mpt_? . . . . . 0 C--O 1.249 1.053 0 CA-C-O 118.437 -0.792 . . . . 0.0 110.152 -175.479 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1850 ' ' PHE . . . . . . . . . . . . . 83.7 t80 . . . . . 0 N--CA 1.457 -0.09 0 CA-C-O 120.74 0.305 . . . . 0.0 110.79 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A 1851 ' ' VAL . . . . . . . . . . . . . 23.7 m -57.3 -33.47 43.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.67 -178.609 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1852 ' ' ASP . . . . . . . . . . . . . 27.8 t70 -77.96 -46.57 20.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.539 -0.3 . . . . 0.0 110.488 -179.079 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1853 ' ' TYR . . . . . 0.496 ' CE1' ' HB2' ' A' 1902 ' ' PRO . 68.5 m-85 -64.24 -37.16 86.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.428 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1854 ' ' GLN . . . . . 0.977 ' HG3' ' HB3' ' A' 1968 ' ' LEU . 28.7 tt0 -59.81 -61.08 2.88 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.074 174.775 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1855 ' ' THR . . . . . 0.698 ' O ' ' HG2' ' A' 1859 ' ' ARG . 84.8 m -59.61 -39.05 82.97 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.498 -0.773 . . . . 0.0 111.919 -174.811 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1856 ' ' THR . . . . . 0.489 HG22 ' O ' ' A' 1853 ' ' TYR . 10.8 t -63.5 -47.35 82.06 Favored 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 120.983 -0.287 . . . . 0.0 111.558 -175.397 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1857 ' ' MET . . . . . 0.555 ' HB2' HD12 ' A' 1896 ' ' LEU . 21.1 ptm -82.35 -23.34 35.11 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 121.216 -0.194 . . . . 0.0 111.081 -173.189 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1858 ' ' VAL . . . . . 0.666 ' O ' ' HG3' ' A' 1862 ' ' LYS . 18.5 m -69.87 -32.68 52.67 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.21 0 C-N-CA 119.772 -0.771 . . . . 0.0 109.867 174.164 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1859 ' ' ARG . . . . . 0.698 ' HG2' ' O ' ' A' 1855 ' ' THR . 11.8 mmm180 -60.72 -44.41 96.65 Favored 'General case' 0 CA--C 1.519 -0.228 0 N-CA-C 109.476 -0.564 . . . . 0.0 109.476 175.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1860 ' ' THR . . . . . . . . . . . . . 57.8 m -65.82 -40.95 92.33 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.396 -0.82 . . . . 0.0 110.961 177.379 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1861 ' ' ALA . . . . . 0.427 ' HB1' ' HB ' ' A' 1961 ' ' VAL . . . -61.25 -41.62 97.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.864 0.364 . . . . 0.0 110.891 177.917 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1862 ' ' LYS . . . . . 0.666 ' HG3' ' O ' ' A' 1858 ' ' VAL . 78.9 mttt -68.02 -35.79 78.88 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.04 177.284 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1863 ' ' ALA . . . . . . . . . . . . . . . -64.57 -42.63 95.51 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.297 177.57 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1864 ' ' ILE . . . . . 0.604 ' O ' HG13 ' A' 1868 ' ' VAL . 76.3 mt -61.5 -45.88 97.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.198 174.676 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1865 ' ' ALA . . . . . 0.773 ' HB2' HG21 ' A' 1961 ' ' VAL . . . -58.82 -36.15 74.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.041 -0.527 . . . . 0.0 112.094 -178.22 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1866 ' ' VAL . . . . . 0.403 ' HA ' ' HB3' ' A' 1869 ' ' GLN . 12.9 p -81.27 -29.2 10.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 C-N-CA 120.327 -0.549 . . . . 0.0 110.7 179.212 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1867 ' ' THR . . . . . 0.471 ' O ' ' HG3' ' A' 1871 ' ' MET . 74.9 m -65.09 -46.69 80.06 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.812 0.339 . . . . 0.0 110.729 175.937 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1868 ' ' VAL . . . . . 0.604 HG13 ' O ' ' A' 1864 ' ' ILE . 4.0 m -66.58 -28.67 44.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 121.847 0.832 . . . . 0.0 110.008 178.925 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1869 ' ' GLN . . . . . 0.403 ' HB3' ' HA ' ' A' 1866 ' ' VAL . 27.5 tp60 -75.94 -28.62 58.03 Favored 'General case' 0 N--CA 1.433 -1.278 0 CA-C-N 114.622 -1.172 . . . . 0.0 109.963 179.51 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1870 ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -74.3 -36.12 63.72 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.146 171.049 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1871 ' ' MET . . . . . 0.473 ' HB3' HD21 ' A' 1950 ' ' LEU . 9.7 mtt -55.28 -45.48 76.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.363 -179.586 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1872 ' ' VAL . . . . . 0.432 HG12 ' HA ' ' A' 1951 ' ' ILE . 28.8 m -72.97 -29.11 28.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.78 0.324 . . . . 0.0 111.466 179.809 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1873 ' ' THR . . . . . . . . . . . . . 90.1 m -75.62 -48.48 22.01 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.016 0.436 . . . . 0.0 110.694 179.479 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1874 ' ' LYS . . . . . 0.415 ' HG3' HD11 ' A' 1885 ' ' LEU . 68.8 mmtt -62.64 -41.48 99.06 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.901 -0.59 . . . . 0.0 111.627 -178.792 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1875 ' ' SER . . . . . 0.453 ' HB3' HD11 ' A' 1882 ' ' LEU . 6.1 p -60.96 -6.64 1.94 Allowed 'General case' 0 N--CA 1.465 0.285 0 N-CA-C 113.219 0.822 . . . . 0.0 113.219 -171.91 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1876 ' ' ASN . . . . . . . . . . . . . 56.6 m-80 -69.64 -48.15 60.92 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.725 0.297 . . . . 0.0 110.598 174.57 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1877 ' ' THR . . . . . . . . . . . . . 75.7 p -124.98 -12.13 7.03 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.917 0.389 . . . . 0.0 111.898 -175.366 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1878 ' ' SER . . . . . . . . . . . . . 50.2 m -131.8 99.34 16.88 Favored Pre-proline 0 C--N 1.319 -0.74 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.825 -171.064 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1879 ' ' PRO . . . . . 0.927 ' HA ' HD12 ' A' 1882 ' ' LEU . 28.1 Cg_endo -94.56 -8.19 1.77 Allowed 'Trans proline' 0 N--CA 1.444 -1.393 0 C-N-CA 121.949 1.766 . . . . 0.0 112.631 174.834 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1880 ' ' GLU . . . . . 0.42 ' H ' ' CD ' ' A' 1880 ' ' GLU . 0.0 OUTLIER -92.19 -30.25 16.03 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.924 0.392 . . . . 0.0 109.947 178.428 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A 1881 ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -60.62 -17.65 48.34 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-O 121.448 0.642 . . . . 0.0 110.435 173.506 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1882 ' ' LEU . . . . . 0.927 HD12 ' HA ' ' A' 1879 ' ' PRO . 2.9 mt -78.84 -11.96 60.01 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.297 -0.865 . . . . 0.0 111.532 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1883 ' ' GLY . . . . . . . . . . . . . . . -65.49 -60.9 6.13 Favored Glycine 0 N--CA 1.449 -0.45 0 C-N-CA 120.753 -0.737 . . . . 0.0 111.796 175.898 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1884 ' ' PRO . . . . . . . . . . . . . 13.6 Cg_endo -59.14 -34.74 98.66 Favored 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 122.569 2.179 . . . . 0.0 112.364 174.948 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1885 ' ' LEU . . . . . 0.415 HD11 ' HG3' ' A' 1874 ' ' LYS . 59.2 mt -65.29 -41.16 94.43 Favored 'General case' 0 C--N 1.331 -0.196 0 N-CA-C 111.603 0.223 . . . . 0.0 111.603 -179.491 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1886 ' ' ALA . . . . . . . . . . . . . . . -65.27 -42.06 93.59 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.776 0.322 . . . . 0.0 110.34 178.449 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1887 ' ' ASN . . . . . . . . . . . . . 24.8 t30 -63.53 -41.7 98.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.331 0.586 . . . . 0.0 109.941 175.379 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1888 ' ' GLN . . . . . . . . . . . . . 46.1 tp60 -57.99 -51.91 67.7 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.102 -0.953 . . . . 0.0 111.175 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1889 ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -59.47 -45.76 90.71 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.011 -0.54 . . . . 0.0 109.585 178.814 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1890 ' ' THR . . . . . . . . . . . . . 90.5 m -58.48 -42.93 88.64 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.529 -0.76 . . . . 0.0 111.467 179.827 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1891 ' ' SER . . . . . . . . . . . . . 35.5 t -66.75 -54.28 24.5 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.971 -0.558 . . . . 0.0 111.31 -176.878 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1892 ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -70.1 -30.0 67.1 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 111.956 0.354 . . . . 0.0 111.956 -174.37 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1893 ' ' TYR . . . . . . . . . . . . . 5.8 t80 -56.48 -42.12 77.73 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.879 -0.328 . . . . 0.0 110.278 174.126 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1894 ' ' GLY . . . . . . . . . . . . . . . -59.24 -37.35 91.7 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.995 -0.622 . . . . 0.0 112.104 179.241 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1895 ' ' ARG . . . . . . . . . . . . . 78.9 ttt180 -70.31 -47.18 62.29 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.875 0.369 . . . . 0.0 110.448 178.707 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1896 ' ' LEU . . . . . 0.555 HD12 ' HB2' ' A' 1857 ' ' MET . 47.6 tp -57.07 -50.51 72.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.773 -0.648 . . . . 0.0 110.902 178.696 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1897 ' ' ALA . . . . . . . . . . . . . . . -65.11 -23.92 67.28 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.282 -179.806 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1898 ' ' SER . . . . . . . . . . . . . 9.2 t -79.76 -40.77 28.01 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.884 -0.413 . . . . 0.0 109.884 -176.81 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1899 ' ' GLN . . . . . . . . . . . . . 25.9 mm-40 -72.91 -8.79 57.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.753 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1900 ' ' ALA . . . . . . . . . . . . . . . -68.16 -21.62 64.89 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.677 175.068 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1901 ' ' LYS . . . . . 0.523 ' HB3' ' HD3' ' A' 1902 ' ' PRO . 54.2 tptt -75.7 -58.62 1.35 Allowed Pre-proline 0 CA--C 1.541 0.598 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.589 179.389 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1902 ' ' PRO . . . . . 0.523 ' HD3' ' HB3' ' A' 1901 ' ' LYS . 56.8 Cg_endo -70.88 -18.33 31.82 Favored 'Trans proline' 0 C--N 1.355 0.912 0 C-N-CA 121.948 1.766 . . . . 0.0 112.913 -178.148 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1903 ' ' ALA . . . . . . . . . . . . . . . -79.52 -34.4 41.2 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.92 0.39 . . . . 0.0 110.811 178.299 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1904 ' ' ALA . . . . . . . . . . . . . . . -70.1 -35.02 73.86 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.191 0.519 . . . . 0.0 110.441 -176.678 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1905 ' ' VAL . . . . . . . . . . . . . 27.5 m -86.98 -0.3 7.0 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 115.498 -0.774 . . . . 0.0 111.028 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1906 ' ' ALA . . . . . . . . . . . . . . . -106.64 -28.39 10.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.658 177.746 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1907 ' ' ALA . . . . . . . . . . . . . . . -67.99 121.36 15.92 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.567 178.613 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1908 ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -73.89 -21.76 59.97 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.449 -178.648 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1909 ' ' ASN . . . . . . . . . . . . . 24.4 t-20 -95.16 134.8 37.49 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.488 -178.796 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1910 ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -56.04 -53.8 52.58 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.583 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1911 ' ' GLU . . . . . . . . . . . . . 25.6 mt-10 -64.42 -43.28 94.85 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.515 -173.751 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1912 ' ' ILE . . . . . 0.681 ' O ' HG13 ' A' 1916 ' ' ILE . 69.7 mt -55.45 -53.2 38.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 N-CA-C 110.101 -0.333 . . . . 0.0 110.101 177.004 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1913 ' ' GLY . . . . . 0.452 ' HA2' HD12 ' A' 1916 ' ' ILE . . . -63.89 -34.47 90.02 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 121.072 -0.585 . . . . 0.0 112.721 -178.775 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1914 ' ' ALA . . . . . . . . . . . . . . . -72.69 -47.48 46.89 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 122.737 -0.272 . . . . 0.0 110.754 -178.587 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1915 ' ' HIS . . . . . 0.478 ' O ' ' HG2' ' A' 1919 ' ' ARG . 64.2 m-70 -59.26 -33.2 70.75 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.352 -0.386 . . . . 0.0 111.261 -177.74 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1916 ' ' ILE . . . . . 0.681 HG13 ' O ' ' A' 1912 ' ' ILE . 85.4 mt -51.07 -55.7 6.73 Favored 'Isoleucine or valine' 0 C--O 1.233 0.185 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.018 177.8 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1917 ' ' LYS . . . . . 0.41 ' HB2' ' HE2' ' A' 1917 ' ' LYS . 3.8 mppt? -69.4 -34.58 74.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.173 -178.118 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1918 ' ' HIS . . . . . 0.429 ' O ' ' HB3' ' A' 1921 ' ' GLN . 33.4 m80 -64.91 -43.93 91.22 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 121.096 -0.242 . . . . 0.0 111.531 -178.194 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1919 ' ' ARG . . . . . 0.478 ' HG2' ' O ' ' A' 1915 ' ' HIS . 30.8 mmt180 -70.27 -38.85 75.18 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 120.818 -0.353 . . . . 0.0 111.342 -175.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1920 ' ' VAL . . . . . . . . . . . . . 14.5 m -73.36 -25.25 21.08 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.226 0 CA-C-O 121.197 0.523 . . . . 0.0 110.099 177.83 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1921 ' ' GLN . . . . . 0.429 ' HB3' ' O ' ' A' 1918 ' ' HIS . 33.6 tt0 -64.24 -48.72 74.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.718 -0.673 . . . . 0.0 109.596 173.546 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1922 ' ' GLU . . . . . 0.589 ' CB ' ' HD3' ' A' 1960 ' ' LYS . 47.4 mt-10 -61.87 -46.98 87.07 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.34 -0.845 . . . . 0.0 110.3 176.018 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1923 ' ' LEU . . . . . 0.556 ' HG ' ' HG2' ' A' 1960 ' ' LYS . 18.0 mt -57.74 -36.78 72.53 Favored 'General case' 0 C--O 1.225 -0.203 0 CA-C-N 115.701 -0.682 . . . . 0.0 111.584 -179.395 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1924 ' ' GLY . . . . . . . . . . . . . . . -54.62 -35.67 57.62 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.234 177.766 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1925 ' ' HIS . . . . . . . . . . . . . 21.6 m170 -79.18 -46.54 17.72 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.883 0.373 . . . . 0.0 110.379 178.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1926 ' ' GLY . . . . . . . . . . . . . . . -67.5 -45.27 79.26 Favored Glycine 0 CA--C 1.518 0.26 0 CA-C-N 115.743 -0.662 . . . . 0.0 113.281 -176.276 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1927 ' ' CYS . . . . . . . . . . . . . 83.8 m -63.99 -39.9 95.18 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.733 0.267 . . . . 0.0 110.715 -179.563 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1928 ' ' SER . . . . . . . . . . . . . 47.9 t -64.61 -38.96 92.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.891 0.377 . . . . 0.0 110.166 178.017 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1929 ' ' ALA . . . . . . . . . . . . . . . -64.19 -44.4 92.11 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.435 177.408 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1930 ' ' LEU . . . . . 0.553 ' CD2' ' HG ' ' A' 1950 ' ' LEU . 0.4 OUTLIER -61.08 -54.09 48.97 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.62 -178.99 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A 1931 ' ' VAL . . . . . . . . . . . . . 33.6 m -62.22 -27.65 42.99 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.172 0 N-CA-C 111.586 0.217 . . . . 0.0 111.586 -176.115 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1932 ' ' THR . . . . . . . . . . . . . 81.8 m -68.04 -45.96 72.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.91 0.386 . . . . 0.0 110.159 176.238 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1933 ' ' LYS . . . . . . . . . . . . . 30.8 mmtp -69.97 -34.88 73.95 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.367 179.825 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1934 ' ' ALA . . . . . . . . . . . . . . . -61.84 -43.01 99.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.446 175.401 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1935 ' ' GLY . . . . . . . . . . . . . . . -70.2 -28.48 71.45 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 121.101 -0.571 . . . . 0.0 112.252 178.663 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1936 ' ' ALA . . . . . . . . . . . . . . . -73.36 -44.57 58.41 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.648 0.261 . . . . 0.0 110.806 179.784 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1937 ' ' LEU . . . . . 0.414 ' HB2' HG22 ' A' 1946 ' ' THR . 20.9 tp -68.59 -29.28 67.77 Favored 'General case' 0 CA--C 1.514 -0.412 0 CA-C-O 121.602 0.715 . . . . 0.0 109.416 177.173 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1938 ' ' GLN . . . . . . . . . . . . . 47.4 tt0 -61.13 -29.05 69.54 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 114.626 -1.17 . . . . 0.0 109.996 176.409 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1939 ' ' CYS . . . . . . . . . . . . . 58.6 m -86.42 -45.91 10.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.679 176.283 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1940 ' ' SER . . . . . . . . . . . . . 75.0 m -123.89 90.66 50.46 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.508 -0.315 . . . . 0.0 111.629 -178.752 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1941 ' ' PRO . . . . . 0.52 ' HB3' ' HG3' ' A' 1879 ' ' PRO . 59.4 Cg_endo -74.61 -14.3 22.16 Favored 'Trans proline' 0 C--N 1.342 0.229 0 C-N-CA 122.52 2.147 . . . . 0.0 112.695 179.39 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1942 ' ' SER . . . . . . . . . . . . . 22.6 t -81.78 -12.19 58.66 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.725 -178.194 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1943 ' ' ASP . . . . . . . . . . . . . 19.1 t70 -89.49 116.31 27.56 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 110.03 -0.359 . . . . 0.0 110.03 -179.436 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1944 ' ' VAL . . . . . . . . . . . . . 10.9 p -75.82 -35.03 29.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.462 -175.936 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1945 ' ' TYR . . . . . . . . . . . . . 59.6 m-85 -65.01 -40.42 94.87 Favored 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 111.489 0.181 . . . . 0.0 111.489 -175.859 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1946 ' ' THR . . . . . 0.414 HG22 ' HB2' ' A' 1937 ' ' LEU . 63.6 m -56.44 -41.8 77.04 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.244 0.545 . . . . 0.0 110.415 175.454 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1947 ' ' LYS . . . . . 0.414 ' HB3' ' HE2' ' A' 1947 ' ' LYS . 26.2 ttpt -71.69 -40.99 69.18 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.284 179.664 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1948 ' ' LYS . . . . . 0.494 ' O ' ' HG2' ' A' 1952 ' ' GLU . 9.0 mmpt? -54.05 -46.81 72.02 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.06 178.204 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1949 ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 -51.26 -49.65 60.76 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.431 -0.804 . . . . 0.0 110.997 177.507 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1950 ' ' LEU . . . . . 0.553 ' HG ' ' CD2' ' A' 1930 ' ' LEU . 8.9 tt -61.33 -45.37 94.69 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.682 -179.253 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1951 ' ' ILE . . . . . 0.432 ' HA ' HG12 ' A' 1872 ' ' VAL . 1.7 mp -59.99 -45.56 95.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.851 179.386 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1952 ' ' GLU . . . . . 0.494 ' HG2' ' O ' ' A' 1948 ' ' LYS . 61.9 mm-40 -65.13 -33.21 75.48 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.067 0.461 . . . . 0.0 110.525 179.294 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1953 ' ' CYS . . . . . . . . . . . . . 66.4 m -75.7 -46.28 32.05 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.902 -0.59 . . . . 0.0 112.245 -177.115 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1954 ' ' ALA . . . . . . . . . . . . . . . -59.73 -44.83 93.6 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 112.1 0.407 . . . . 0.0 112.1 -174.604 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1955 ' ' ARG . . . . . . . . . . . . . 5.6 ptp180 -61.68 -31.6 71.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.898 0.38 . . . . 0.0 110.823 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1956 ' ' ARG . . . . . . . . . . . . . 42.4 mtp180 -78.04 -43.73 28.51 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.062 -177.378 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1957 ' ' VAL . . . . . 0.559 ' O ' HG13 ' A' 1961 ' ' VAL . 11.1 m -70.23 -30.25 42.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 C-N-CA 120.334 -0.546 . . . . 0.0 110.504 -179.145 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1958 ' ' SER . . . . . . . . . . . . . 46.2 t -64.71 -24.7 67.65 Favored 'General case' 0 CA--C 1.53 0.19 0 CA-C-O 121.014 0.435 . . . . 0.0 109.971 175.211 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1959 ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -81.26 -41.2 22.56 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.225 0.536 . . . . 0.0 110.273 172.952 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1960 ' ' LYS . . . . . 0.589 ' HD3' ' CB ' ' A' 1922 ' ' GLU . 18.7 ttmm -65.42 -34.78 79.09 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.574 -178.052 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1961 ' ' VAL . . . . . 0.773 HG21 ' HB2' ' A' 1865 ' ' ALA . 20.8 m -68.67 -33.58 60.45 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.114 0 CA-C-O 121.173 0.511 . . . . 0.0 110.027 173.676 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1962 ' ' SER . . . . . 0.589 ' HA ' HD12 ' A' 1965 ' ' LEU . 36.8 t -67.62 -24.2 65.45 Favored 'General case' 0 N--CA 1.451 -0.382 0 CA-C-N 115.666 -0.697 . . . . 0.0 109.93 178.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1963 ' ' HIS . . . . . . . . . . . . . 59.4 m170 -75.53 -24.62 56.77 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.32 179.626 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1964 ' ' VAL . . . . . 0.489 HG11 HD11 ' A' 1896 ' ' LEU . 85.3 t -70.12 -43.89 78.59 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.258 0 N-CA-C 108.671 -0.863 . . . . 0.0 108.671 169.519 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1965 ' ' LEU . . . . . 0.589 HD12 ' HA ' ' A' 1962 ' ' SER . 26.5 mt -57.62 -48.04 80.52 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.137 -0.938 . . . . 0.0 110.201 177.656 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1966 ' ' ALA . . . . . . . . . . . . . . . -68.89 -45.1 71.8 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.577 -0.738 . . . . 0.0 112.088 -177.214 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1967 ' ' ALA . . . . . . . . . . . . . . . -57.88 -47.59 82.33 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-O 121.189 0.519 . . . . 0.0 110.933 -179.571 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1968 ' ' LEU . . . . . 0.977 ' HB3' ' HG3' ' A' 1854 ' ' GLN . 5.2 mp -64.02 -45.23 89.85 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.356 -0.838 . . . . 0.0 111.407 -179.469 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1969 ' ' GLN . . . . . . . . . . . . . 48.6 mt-30 . . . . . 0 C--N 1.325 -0.473 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.649 -175.207 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A 1850 ' ' PHE . . . . . . . . . . . . . 91.2 t80 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 121.152 0.501 . . . . 0.0 110.364 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A 1851 ' ' VAL . . . . . . . . . . . . . 15.1 m -59.81 -30.75 45.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.519 -0.764 . . . . 0.0 111.79 -178.462 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1852 ' ' ASP . . . . . . . . . . . . . 25.5 t70 -80.05 -41.95 24.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.925 0.393 . . . . 0.0 110.333 -177.94 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1853 ' ' TYR . . . . . 0.489 ' O ' HG22 ' A' 1856 ' ' THR . 47.8 m-85 -67.34 -29.81 69.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.31 0.576 . . . . 0.0 109.964 178.083 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1854 ' ' GLN . . . . . 0.926 ' HG3' ' HB3' ' A' 1968 ' ' LEU . 31.8 tt0 -62.21 -59.89 4.38 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.454 -0.794 . . . . 0.0 110.129 172.824 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1855 ' ' THR . . . . . 0.486 ' O ' ' HG2' ' A' 1859 ' ' ARG . 25.1 m -60.71 -32.85 72.08 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.479 -0.782 . . . . 0.0 112.607 -173.494 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1856 ' ' THR . . . . . 0.489 HG22 ' O ' ' A' 1853 ' ' TYR . 11.8 t -65.91 -50.35 64.77 Favored 'General case' 0 CA--C 1.538 0.506 0 N-CA-C 112.216 0.451 . . . . 0.0 112.216 -174.162 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1857 ' ' MET . . . . . 0.756 ' SD ' HD21 ' A' 1968 ' ' LEU . 7.0 ptp -82.89 -25.13 32.78 Favored 'General case' 0 C--N 1.328 -0.334 0 O-C-N 121.961 -0.462 . . . . 0.0 112.149 -173.694 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1858 ' ' VAL . . . . . 0.537 HG13 ' O ' ' A' 1854 ' ' GLN . 28.2 m -64.96 -29.77 48.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 C-N-CA 120.195 -0.602 . . . . 0.0 110.011 178.923 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1859 ' ' ARG . . . . . 0.486 ' HG2' ' O ' ' A' 1855 ' ' THR . 41.2 mmm-85 -63.12 -47.11 84.18 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.248 0.547 . . . . 0.0 109.622 174.163 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1860 ' ' THR . . . . . 0.424 ' O ' HG13 ' A' 1864 ' ' ILE . 89.6 m -60.76 -43.75 97.61 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-N 115.272 -0.876 . . . . 0.0 111.208 177.643 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1861 ' ' ALA . . . . . . . . . . . . . . . -57.86 -43.18 85.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.87 0.367 . . . . 0.0 110.965 179.406 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1862 ' ' LYS . . . . . 0.448 ' HG3' ' O ' ' A' 1858 ' ' VAL . 57.6 mttm -63.88 -42.22 97.54 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.288 177.13 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1863 ' ' ALA . . . . . . . . . . . . . . . -65.23 -41.97 93.85 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.723 -0.671 . . . . 0.0 111.029 179.26 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1864 ' ' ILE . . . . . 0.424 HG13 ' O ' ' A' 1860 ' ' THR . 68.9 mt -61.42 -44.15 98.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 N-CA-C 110.123 -0.325 . . . . 0.0 110.123 177.192 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1865 ' ' ALA . . . . . 0.753 ' HB2' HG21 ' A' 1961 ' ' VAL . . . -57.51 -45.22 85.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.813 -179.822 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1866 ' ' VAL . . . . . 0.401 ' O ' ' HG2' ' A' 1869 ' ' GLN . 13.0 p -73.37 -32.49 37.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 C-N-CA 120.487 -0.485 . . . . 0.0 110.467 -179.532 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1867 ' ' THR . . . . . . . . . . . . . 84.5 m -68.52 -46.56 69.26 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.741 0.305 . . . . 0.0 110.727 178.495 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1868 ' ' VAL . . . . . 0.436 ' O ' HG13 ' A' 1872 ' ' VAL . 32.6 m -67.17 -35.26 73.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.475 -0.329 . . . . 0.0 110.723 -179.78 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1869 ' ' GLN . . . . . 0.524 ' O ' HG22 ' A' 1872 ' ' VAL . 1.8 pt20 -73.89 -30.08 62.42 Favored 'General case' 0 N--CA 1.452 -0.349 0 C-N-CA 120.473 -0.491 . . . . 0.0 109.737 179.045 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1870 ' ' GLU . . . . . 0.557 ' O ' ' HG2' ' A' 1874 ' ' LYS . 27.0 mt-10 -62.68 -41.55 99.16 Favored 'General case' 0 C--O 1.219 -0.546 0 N-CA-C 109.778 -0.452 . . . . 0.0 109.778 172.151 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1871 ' ' MET . . . . . 0.48 ' HB3' HD21 ' A' 1950 ' ' LEU . 7.6 mtt -55.11 -44.47 75.01 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.076 178.856 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1872 ' ' VAL . . . . . 0.987 ' HB ' HG13 ' A' 1951 ' ' ILE . 1.3 m -75.06 -29.12 21.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 121.294 0.569 . . . . 0.0 110.789 -179.369 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1873 ' ' THR . . . . . . . . . . . . . 91.7 m -79.07 -44.46 22.09 Favored 'General case' 0 N--CA 1.441 -0.924 0 CA-C-N 115.508 -0.769 . . . . 0.0 111.207 -177.706 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1874 ' ' LYS . . . . . 0.557 ' HG2' ' O ' ' A' 1870 ' ' GLU . 31.5 mmtp -67.24 -40.25 86.29 Favored 'General case' 0 C--O 1.219 -0.506 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.613 -178.912 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1875 ' ' SER . . . . . 0.539 ' HB3' HD11 ' A' 1882 ' ' LEU . 6.1 p -58.0 -14.86 7.29 Favored 'General case' 0 N--CA 1.466 0.326 0 N-CA-C 113.168 0.803 . . . . 0.0 113.168 -172.439 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1876 ' ' ASN . . . . . . . . . . . . . 62.4 m-80 -63.87 -42.88 97.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.81 0.338 . . . . 0.0 110.494 176.149 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1877 ' ' THR . . . . . . . . . . . . . 27.4 p -122.83 -30.15 3.87 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.133 0.492 . . . . 0.0 112.088 -177.023 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1878 ' ' SER . . . . . . . . . . . . . 75.4 m -120.7 103.18 43.88 Favored Pre-proline 0 C--N 1.32 -0.706 0 CA-C-N 115.708 -0.678 . . . . 0.0 112.093 -169.122 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1879 ' ' PRO . . . . . 1.051 ' HA ' HD12 ' A' 1882 ' ' LEU . 21.9 Cg_endo -92.66 -7.72 2.73 Favored 'Trans proline' 0 N--CA 1.445 -1.382 0 C-N-CA 121.862 1.708 . . . . 0.0 111.182 171.521 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1880 ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 -72.36 -42.67 65.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.188 -0.915 . . . . 0.0 110.266 178.063 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1881 ' ' GLU . . . . . . . . . . . . . 54.3 mm-40 -63.57 -14.59 52.89 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.391 -0.822 . . . . 0.0 111.387 -179.486 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1882 ' ' LEU . . . . . 1.051 HD12 ' HA ' ' A' 1879 ' ' PRO . 3.1 mt -80.85 -9.01 59.86 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.711 -0.677 . . . . 0.0 112.33 -171.477 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1883 ' ' GLY . . . . . . . . . . . . . . . -76.09 -60.24 3.16 Favored Glycine 0 N--CA 1.448 -0.524 0 C-N-CA 120.52 -0.847 . . . . 0.0 111.434 175.06 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1884 ' ' PRO . . . . . . . . . . . . . 45.0 Cg_exo -57.32 -40.92 78.22 Favored 'Trans proline' 0 C--N 1.349 0.571 0 C-N-CA 122.759 2.306 . . . . 0.0 112.36 176.078 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1885 ' ' LEU . . . . . . . . . . . . . 56.5 mt -60.43 -37.79 82.04 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-O 120.592 0.234 . . . . 0.0 111.396 -179.465 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1886 ' ' ALA . . . . . . . . . . . . . . . -63.48 -50.32 70.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.973 0.416 . . . . 0.0 110.52 178.7 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1887 ' ' ASN . . . . . . . . . . . . . 56.8 t30 -63.17 -40.43 97.51 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.374 178.713 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1888 ' ' GLN . . . . . . . . . . . . . 28.6 tp60 -61.14 -48.63 80.72 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.277 -179.518 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1889 ' ' LEU . . . . . 0.436 HD11 HG12 ' A' 1868 ' ' VAL . 0.9 OUTLIER -55.81 -48.03 76.12 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 108.878 -0.786 . . . . 0.0 108.878 177.288 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A 1890 ' ' THR . . . . . . . . . . . . . 24.8 m -58.97 -42.22 89.4 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 114.814 -1.085 . . . . 0.0 111.293 -179.318 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1891 ' ' SER . . . . . . . . . . . . . 62.6 m -63.72 -49.18 74.09 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.786 -178.447 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1892 ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -68.56 -33.9 74.9 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 121.001 -0.28 . . . . 0.0 111.23 -177.804 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1893 ' ' TYR . . . . . . . . . . . . . 47.5 t80 -58.91 -33.99 71.18 Favored 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 121.065 -0.254 . . . . 0.0 110.641 177.538 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1894 ' ' GLY . . . . . . . . . . . . . . . -55.84 -38.89 75.69 Favored Glycine 0 C--N 1.332 0.309 0 C-N-CA 120.983 -0.627 . . . . 0.0 111.883 176.648 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1895 ' ' ARG . . . . . 0.477 ' O ' ' HG2' ' A' 1899 ' ' GLN . 75.2 mtp180 -66.93 -53.51 31.19 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.046 0.45 . . . . 0.0 110.053 176.571 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1896 ' ' LEU . . . . . 0.499 HD12 ' HB2' ' A' 1857 ' ' MET . 63.7 tp -52.56 -49.55 64.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.231 -0.895 . . . . 0.0 111.542 -177.907 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1897 ' ' ALA . . . . . . . . . . . . . . . -65.94 -29.82 70.29 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.647 -177.028 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1898 ' ' SER . . . . . . . . . . . . . 42.1 m -81.02 -32.5 34.14 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.759 0.314 . . . . 0.0 110.756 -176.246 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1899 ' ' GLN . . . . . 0.477 ' HG2' ' O ' ' A' 1895 ' ' ARG . 83.5 mm-40 -78.66 -10.4 59.74 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.62 -178.87 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1900 ' ' ALA . . . . . . . . . . . . . . . -70.66 -26.94 63.67 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.764 178.701 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1901 ' ' LYS . . . . . 0.433 ' HB3' ' HD3' ' A' 1902 ' ' PRO . 86.9 tttt -71.3 -57.74 4.38 Favored Pre-proline 0 CA--C 1.538 0.498 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.427 -179.37 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1902 ' ' PRO . . . . . 0.612 ' HA ' HG22 ' A' 1905 ' ' VAL . 36.6 Cg_endo -65.67 -22.47 57.59 Favored 'Trans proline' 0 C--N 1.356 0.957 0 C-N-CA 121.984 1.789 . . . . 0.0 112.485 -179.747 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1903 ' ' ALA . . . . . . . . . . . . . . . -73.56 -31.41 63.62 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.91 0.386 . . . . 0.0 110.441 177.035 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1904 ' ' ALA . . . . . . . . . . . . . . . -77.5 -34.1 54.26 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.608 -178.709 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1905 ' ' VAL . . . . . 0.612 HG22 ' HA ' ' A' 1902 ' ' PRO . 22.3 m -80.54 -12.1 12.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.039 -179.636 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1906 ' ' ALA . . . . . . . . . . . . . . . -106.27 6.0 30.28 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.039 0.447 . . . . 0.0 110.281 176.204 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1907 ' ' ALA . . . . . . . . . . . . . . . -81.91 131.72 35.26 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.885 -179.385 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1908 ' ' GLU . . . . . . . . . . . . . 35.9 mm-40 -80.35 -30.94 38.03 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.96 -178.935 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1909 ' ' ASN . . . . . 0.699 ' HB2' HG13 ' A' 1912 ' ' ILE . 91.5 m-20 -112.71 156.15 23.28 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.53 -0.305 . . . . 0.0 110.863 -176.764 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1910 ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -50.49 -53.33 30.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.334 -0.848 . . . . 0.0 110.917 178.085 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1911 ' ' GLU . . . . . 0.496 ' HB3' ' CD2' ' A' 1915 ' ' HIS . 1.3 mm-40 -75.39 -29.0 59.68 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 114.516 -1.22 . . . . 0.0 113.009 -170.419 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1912 ' ' ILE . . . . . 0.699 HG13 ' HB2' ' A' 1909 ' ' ASN . 58.0 mt -55.05 -53.39 34.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 C-N-CA 120.665 -0.414 . . . . 0.0 110.122 -179.563 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1913 ' ' GLY . . . . . . . . . . . . . . . -71.53 -33.37 63.94 Favored Glycine 0 N--CA 1.447 -0.602 0 C-N-CA 120.612 -0.804 . . . . 0.0 112.125 179.053 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1914 ' ' ALA . . . . . . . . . . . . . . . -69.03 -44.49 72.61 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.525 0.202 . . . . 0.0 110.79 -176.369 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1915 ' ' HIS . . . . . 0.523 ' O ' ' HG2' ' A' 1919 ' ' ARG . 63.4 m-70 -59.73 -45.4 92.29 Favored 'General case' 0 CA--C 1.519 -0.232 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.726 -179.406 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1916 ' ' ILE . . . . . 0.456 HG13 ' O ' ' A' 1912 ' ' ILE . 82.5 mt -54.08 -58.99 2.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.608 178.213 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1917 ' ' LYS . . . . . 0.516 ' O ' ' HG2' ' A' 1921 ' ' GLN . 21.5 mtpp -60.78 -33.39 72.89 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.353 -0.84 . . . . 0.0 111.641 -177.78 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1918 ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -71.58 -43.92 65.41 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.341 -178.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1919 ' ' ARG . . . . . 0.523 ' HG2' ' O ' ' A' 1915 ' ' HIS . 0.8 OUTLIER -73.56 -35.88 65.53 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.567 -0.288 . . . . 0.0 111.288 -176.279 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A 1920 ' ' VAL . . . . . . . . . . . . . 31.4 m -68.23 -29.71 45.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.799 0.333 . . . . 0.0 110.464 177.518 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1921 ' ' GLN . . . . . 0.516 ' HG2' ' O ' ' A' 1917 ' ' LYS . 73.2 mm-40 -67.84 -41.66 82.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.871 0.367 . . . . 0.0 110.346 175.771 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1922 ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -67.69 -37.54 82.44 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.555 177.412 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1923 ' ' LEU . . . . . . . . . . . . . 33.0 mt -64.74 -31.1 72.17 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.523 174.204 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1924 ' ' GLY . . . . . . . . . . . . . . . -64.38 -45.35 93.57 Favored Glycine 0 N--CA 1.449 -0.485 0 C-N-CA 120.987 -0.625 . . . . 0.0 111.648 174.704 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1925 ' ' HIS . . . . . . . . . . . . . 29.2 m170 -64.17 -39.83 94.83 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.128 0.489 . . . . 0.0 109.846 176.436 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1926 ' ' GLY . . . . . . . . . . . . . . . -66.35 -52.55 34.86 Favored Glycine 0 N--CA 1.447 -0.583 0 CA-C-N 115.332 -0.849 . . . . 0.0 113.24 -178.822 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1927 ' ' CYS . . . . . . . . . . . . . 22.6 p -62.45 -40.25 96.01 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 117.127 0.463 . . . . 0.0 111.053 -177.221 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1928 ' ' SER . . . . . . . . . . . . . 37.5 t -58.87 -44.07 90.99 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-O 120.779 0.323 . . . . 0.0 110.684 178.938 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1929 ' ' ALA . . . . . . . . . . . . . . . -70.51 -40.77 73.33 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.879 0.371 . . . . 0.0 110.439 178.066 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1930 ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -61.73 -53.55 54.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.986 -178.305 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1931 ' ' VAL . . . . . . . . . . . . . 30.0 m -63.16 -29.5 47.39 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.171 0 CA-C-O 120.679 0.276 . . . . 0.0 111.017 -176.941 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1932 ' ' THR . . . . . . . . . . . . . 87.0 m -68.54 -44.99 73.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.444 176.484 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1933 ' ' LYS . . . . . . . . . . . . . 73.1 mmtt -67.77 -34.36 76.64 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.462 177.92 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1934 ' ' ALA . . . . . 0.486 ' HA ' HD12 ' A' 1950 ' ' LEU . . . -59.83 -48.92 79.74 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.343 175.934 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1935 ' ' GLY . . . . . . . . . . . . . . . -68.0 -41.15 88.21 Favored Glycine 0 N--CA 1.449 -0.494 0 C-N-CA 120.999 -0.619 . . . . 0.0 112.027 177.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1936 ' ' ALA . . . . . . . . . . . . . . . -61.62 -41.23 97.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.574 0.226 . . . . 0.0 111.287 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1937 ' ' LEU . . . . . 0.487 ' HB2' HG22 ' A' 1946 ' ' THR . 34.2 tp -70.6 -34.9 72.67 Favored 'General case' 0 CA--C 1.511 -0.539 0 CA-C-O 121.035 0.445 . . . . 0.0 110.211 177.585 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1938 ' ' GLN . . . . . . . . . . . . . 37.5 tt0 -65.21 -26.89 68.33 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.159 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1939 ' ' CYS . . . . . . . . . . . . . 76.1 m -78.5 -13.81 59.66 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.376 176.472 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1940 ' ' SER . . . . . . . . . . . . . 69.3 m -159.27 84.5 2.32 Favored Pre-proline 0 N--CA 1.465 0.312 0 CA-C-O 120.723 0.297 . . . . 0.0 110.737 -179.29 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1941 ' ' PRO . . . . . 0.633 ' HB3' ' HG3' ' A' 1879 ' ' PRO . 55.7 Cg_endo -71.09 -18.97 30.46 Favored 'Trans proline' 0 C--N 1.343 0.265 0 C-N-CA 122.753 2.302 . . . . 0.0 113.319 -174.3 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1942 ' ' SER . . . . . . . . . . . . . 4.0 p -79.92 -23.59 41.65 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.755 -177.041 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1943 ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -77.06 111.12 12.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.117 0.484 . . . . 0.0 110.548 -179.12 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1944 ' ' VAL . . . . . 0.454 ' O ' ' HG3' ' A' 1948 ' ' LYS . 14.6 p -71.05 -32.6 48.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.508 -175.406 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1945 ' ' TYR . . . . . . . . . . . . . 97.8 m-85 -60.87 -48.02 83.74 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.505 -0.316 . . . . 0.0 111.545 -174.826 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1946 ' ' THR . . . . . 0.487 HG22 ' HB2' ' A' 1937 ' ' LEU . 95.9 m -59.89 -37.44 79.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.078 0.466 . . . . 0.0 110.662 177.51 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1947 ' ' LYS . . . . . . . . . . . . . 31.6 ttpt -61.52 -48.31 81.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.588 -179.67 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1948 ' ' LYS . . . . . 0.454 ' HG3' ' O ' ' A' 1944 ' ' VAL . 13.4 mtpt -63.62 -37.88 89.01 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.115 -173.226 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1949 ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -63.47 -31.96 73.26 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.022 0.439 . . . . 0.0 110.527 178.665 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1950 ' ' LEU . . . . . 0.592 HD11 HD22 ' A' 1882 ' ' LEU . 8.6 tt -66.11 -52.08 51.96 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.776 -0.647 . . . . 0.0 109.628 176.935 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1951 ' ' ILE . . . . . 0.987 HG13 ' HB ' ' A' 1872 ' ' VAL . 1.9 mp -57.97 -45.6 87.86 Favored 'Isoleucine or valine' 0 C--O 1.235 0.324 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.085 177.244 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1952 ' ' GLU . . . . . 0.485 ' O ' ' HG3' ' A' 1956 ' ' ARG . 51.9 mm-40 -59.47 -36.86 76.78 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.719 -0.673 . . . . 0.0 112.135 -179.162 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1953 ' ' CYS . . . . . 0.423 ' O ' HG13 ' A' 1957 ' ' VAL . 39.6 t -75.69 -46.28 32.11 Favored 'General case' 0 C--N 1.319 -0.745 0 C-N-CA 120.715 -0.394 . . . . 0.0 110.791 -178.295 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1954 ' ' ALA . . . . . 0.477 ' HB3' ' CG1' ' A' 1872 ' ' VAL . . . -62.64 -40.94 98.59 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 111.967 0.358 . . . . 0.0 111.967 -175.926 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1955 ' ' ARG . . . . . . . . . . . . . 5.7 ptm180 -63.31 -29.7 70.97 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.101 0.476 . . . . 0.0 110.72 179.203 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1956 ' ' ARG . . . . . 0.485 ' HG3' ' O ' ' A' 1952 ' ' GLU . 54.4 mtt-85 -82.1 -35.06 28.99 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.114 -177.632 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1957 ' ' VAL . . . . . 0.518 ' O ' HG13 ' A' 1961 ' ' VAL . 8.6 m -80.26 -28.94 12.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 C-N-CA 120.899 -0.32 . . . . 0.0 111.146 -179.462 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1958 ' ' SER . . . . . 0.62 ' O ' HG22 ' A' 1961 ' ' VAL . 12.4 p -65.72 -24.32 66.95 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 121.188 0.518 . . . . 0.0 110.337 178.141 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1959 ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -74.21 -39.68 62.95 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.058 171.455 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1960 ' ' LYS . . . . . 0.439 ' HG3' ' O ' ' A' 1956 ' ' ARG . 65.4 mttm -65.39 -31.92 73.28 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.266 -177.262 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1961 ' ' VAL . . . . . 0.753 HG21 ' HB2' ' A' 1865 ' ' ALA . 3.7 m -64.08 -35.25 73.06 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.221 0 CA-C-O 121.034 0.445 . . . . 0.0 109.835 178.081 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1962 ' ' SER . . . . . 0.663 ' HA ' HD12 ' A' 1965 ' ' LEU . 20.1 m -73.16 -24.55 60.59 Favored 'General case' 0 N--CA 1.442 -0.851 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.478 176.923 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1963 ' ' HIS . . . . . 0.407 ' ND1' ' HA ' ' A' 1960 ' ' LYS . 39.9 m170 -73.77 -28.9 61.9 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.412 -0.588 . . . . 0.0 109.412 177.203 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1964 ' ' VAL . . . . . 0.495 ' O ' HD23 ' A' 1968 ' ' LEU . 84.5 t -65.95 -49.14 78.91 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.207 0 N-CA-C 108.827 -0.805 . . . . 0.0 108.827 169.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1965 ' ' LEU . . . . . 0.663 HD12 ' HA ' ' A' 1962 ' ' SER . 57.0 mt -51.0 -47.18 61.64 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.627 177.645 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1966 ' ' ALA . . . . . . . . . . . . . . . -63.14 -36.05 82.31 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.953 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1967 ' ' ALA . . . . . . . . . . . . . . . -67.39 -44.78 78.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.831 0.348 . . . . 0.0 111.125 -179.283 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1968 ' ' LEU . . . . . 0.926 ' HB3' ' HG3' ' A' 1854 ' ' GLN . 4.0 mm? -70.98 -29.15 65.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.902 -179.169 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1969 ' ' GLN . . . . . . . . . . . . . 71.5 mt-30 . . . . . 0 C--N 1.326 -0.433 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.256 -179.546 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A 1850 ' ' PHE . . . . . 0.4 ' HA ' ' HD2' ' A' 1853 ' ' TYR . 40.0 t80 . . . . . 0 N--CA 1.455 -0.217 0 CA-C-O 120.838 0.351 . . . . 0.0 110.713 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1851 ' ' VAL . . . . . . . . . . . . . 34.5 m -58.5 -25.04 26.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.794 -0.639 . . . . 0.0 112.075 -177.471 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1852 ' ' ASP . . . . . . . . . . . . . 19.3 t70 -71.99 -52.66 15.97 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.816 0.341 . . . . 0.0 110.457 177.484 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1853 ' ' TYR . . . . . 0.557 ' O ' ' HG2' ' A' 1857 ' ' MET . 20.2 m-85 -61.0 -42.86 99.26 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.13 -0.693 . . . . 0.0 109.13 178.31 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1854 ' ' GLN . . . . . 0.765 ' HG3' ' HB3' ' A' 1968 ' ' LEU . 39.0 tt0 -49.4 -60.5 2.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 114.564 -1.198 . . . . 0.0 110.775 176.589 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1855 ' ' THR . . . . . 0.612 ' O ' ' HG2' ' A' 1859 ' ' ARG . 29.7 m -64.41 -27.75 69.21 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.314 -177.124 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1856 ' ' THR . . . . . 0.458 HG22 ' N ' ' A' 1857 ' ' MET . 1.0 OUTLIER -69.25 -56.17 8.35 Favored 'General case' 0 N--CA 1.445 -0.677 0 CA-C-O 120.838 0.352 . . . . 0.0 111.515 179.029 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A 1857 ' ' MET . . . . . 0.887 ' HG3' HD11 ' A' 1968 ' ' LEU . 7.0 ptm -77.88 -17.72 57.01 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 111.895 0.332 . . . . 0.0 111.895 -170.911 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1858 ' ' VAL . . . . . 0.469 HG13 ' O ' ' A' 1854 ' ' GLN . 34.5 m -66.32 -40.44 86.76 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.165 0 C-N-CA 119.651 -0.82 . . . . 0.0 109.545 170.954 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1859 ' ' ARG . . . . . 0.612 ' HG2' ' O ' ' A' 1855 ' ' THR . 36.4 mmt180 -62.81 -41.62 99.37 Favored 'General case' 0 CA--C 1.519 -0.213 0 CA-C-O 121.26 0.552 . . . . 0.0 109.611 177.659 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1860 ' ' THR . . . . . 0.443 HG21 ' HB2' ' A' 1896 ' ' LEU . 32.6 m -65.84 -45.22 83.04 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.273 -0.876 . . . . 0.0 111.06 -178.544 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1861 ' ' ALA . . . . . 0.454 ' HB1' ' HB ' ' A' 1961 ' ' VAL . . . -60.64 -41.21 94.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.861 0.363 . . . . 0.0 110.694 178.598 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1862 ' ' LYS . . . . . . . . . . . . . 57.1 mttm -66.7 -38.44 86.76 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.492 177.847 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1863 ' ' ALA . . . . . . . . . . . . . . . -64.26 -42.38 96.51 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.527 177.641 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1864 ' ' ILE . . . . . 0.647 ' O ' HG13 ' A' 1868 ' ' VAL . 66.7 mt -62.28 -46.81 95.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.154 175.689 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1865 ' ' ALA . . . . . 0.801 ' HB2' HG21 ' A' 1961 ' ' VAL . . . -56.07 -48.45 76.07 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.707 -179.345 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1866 ' ' VAL . . . . . . . . . . . . . 8.7 p -67.93 -29.79 46.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 C-N-CA 120.489 -0.484 . . . . 0.0 110.454 -179.509 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1867 ' ' THR . . . . . 0.668 ' O ' ' HG3' ' A' 1871 ' ' MET . 95.8 m -67.39 -50.29 60.24 Favored 'General case' 0 N--CA 1.455 -0.198 0 CA-C-N 116.729 -0.214 . . . . 0.0 110.663 177.842 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1868 ' ' VAL . . . . . 0.647 HG13 ' O ' ' A' 1864 ' ' ILE . 2.9 m -61.54 -31.83 51.75 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.313 0 CA-C-O 121.716 0.769 . . . . 0.0 109.743 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1869 ' ' GLN . . . . . . . . . . . . . 54.7 tp60 -74.31 -32.6 62.91 Favored 'General case' 0 N--CA 1.424 -1.727 0 CA-C-N 114.642 -1.163 . . . . 0.0 110.265 -179.371 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1870 ' ' GLU . . . . . 0.597 ' O ' ' HG2' ' A' 1874 ' ' LYS . 39.2 mt-10 -70.46 -44.49 67.67 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.286 173.271 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1871 ' ' MET . . . . . 0.668 ' HG3' ' O ' ' A' 1867 ' ' THR . 43.1 mtp -52.81 -51.45 60.77 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.034 -177.686 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1872 ' ' VAL . . . . . 0.466 HG12 ' HA ' ' A' 1951 ' ' ILE . 34.5 m -66.98 -29.25 45.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-O 120.891 0.377 . . . . 0.0 111.487 -179.768 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1873 ' ' THR . . . . . . . . . . . . . 97.3 m -72.96 -40.34 65.41 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.65 178.33 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1874 ' ' LYS . . . . . 0.597 ' HG2' ' O ' ' A' 1870 ' ' GLU . 74.5 mmtt -65.84 -39.87 91.2 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.484 178.545 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1875 ' ' SER . . . . . . . . . . . . . 36.1 m -55.62 -18.54 7.99 Favored 'General case' 0 N--CA 1.466 0.357 0 N-CA-C 113.213 0.819 . . . . 0.0 113.213 -172.533 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1876 ' ' ASN . . . . . . . . . . . . . 59.4 m-80 -66.98 -35.52 80.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.912 0.387 . . . . 0.0 110.852 179.438 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1877 ' ' THR . . . . . . . . . . . . . 22.5 p -132.62 -42.36 0.93 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.137 0.494 . . . . 0.0 111.925 -174.07 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1878 ' ' SER . . . . . . . . . . . . . 43.3 m -111.53 97.73 37.72 Favored Pre-proline 0 C--N 1.323 -0.566 0 CA-C-N 115.657 -0.701 . . . . 0.0 111.64 -173.026 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1879 ' ' PRO . . . . . 0.875 ' HA ' HD12 ' A' 1882 ' ' LEU . 61.3 Cg_endo -91.69 -14.07 1.66 Allowed 'Trans proline' 0 N--CA 1.443 -1.461 0 C-N-CA 121.637 1.558 . . . . 0.0 112.631 177.461 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1880 ' ' GLU . . . . . . . . . . . . . 53.4 mm-40 -77.61 -29.04 51.68 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-O 121.185 0.517 . . . . 0.0 109.686 176.832 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1881 ' ' GLU . . . . . . . . . . . . . 19.7 mm-40 -67.25 -14.23 62.72 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.479 -0.782 . . . . 0.0 111.596 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1882 ' ' LEU . . . . . 0.875 HD12 ' HA ' ' A' 1879 ' ' PRO . 0.6 OUTLIER -78.72 -12.61 60.03 Favored 'General case' 0 N--CA 1.442 -0.849 0 CA-C-N 115.936 -0.575 . . . . 0.0 112.002 -177.672 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A 1883 ' ' GLY . . . . . . . . . . . . . . . -63.41 -61.54 6.19 Favored Glycine 0 CA--C 1.519 0.34 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.162 176.238 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1884 ' ' PRO . . . . . . . . . . . . . 13.7 Cg_endo -58.81 -35.83 97.99 Favored 'Trans proline' 0 C--N 1.348 0.52 0 C-N-CA 122.522 2.148 . . . . 0.0 112.47 176.252 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1885 ' ' LEU . . . . . 0.423 ' HB3' ' HG2' ' A' 1871 ' ' MET . 63.1 mt -65.0 -40.2 94.58 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.662 -0.244 . . . . 0.0 111.333 -179.535 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1886 ' ' ALA . . . . . . . . . . . . . . . -61.65 -44.05 97.7 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.167 0.508 . . . . 0.0 110.455 178.099 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1887 ' ' ASN . . . . . . . . . . . . . 94.1 m-20 -66.44 -37.7 85.74 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.49 177.876 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1888 ' ' GLN . . . . . . . . . . . . . 32.6 tp60 -61.88 -48.4 80.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.669 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1889 ' ' LEU . . . . . 0.51 HD12 ' SD ' ' A' 1871 ' ' MET . 1.6 tt -58.94 -42.89 90.88 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.357 0.598 . . . . 0.0 109.472 178.125 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1890 ' ' THR . . . . . . . . . . . . . 90.9 m -61.62 -51.38 68.72 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.18 -0.918 . . . . 0.0 111.659 -178.483 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1891 ' ' SER . . . . . . . . . . . . . 38.6 m -59.81 -46.84 87.98 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.696 -177.113 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1892 ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -67.76 -36.71 80.99 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.446 -178.043 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1893 ' ' TYR . . . . . . . . . . . . . 40.5 t80 -61.98 -36.47 81.57 Favored 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 120.591 -0.443 . . . . 0.0 110.536 177.038 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1894 ' ' GLY . . . . . . . . . . . . . . . -57.46 -38.65 88.18 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.858 -0.687 . . . . 0.0 111.691 177.171 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1895 ' ' ARG . . . . . . . . . . . . . 43.2 ttp-105 -70.6 -45.7 64.81 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.961 0.41 . . . . 0.0 110.098 176.885 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1896 ' ' LEU . . . . . 0.542 HD11 HG11 ' A' 1964 ' ' VAL . 61.3 tp -56.77 -52.28 65.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.608 -0.724 . . . . 0.0 111.508 -179.658 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1897 ' ' ALA . . . . . . . . . . . . . . . -63.91 -24.5 67.76 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.011 -0.541 . . . . 0.0 111.558 -176.811 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1898 ' ' SER . . . . . . . . . . . . . 64.9 m -80.8 -34.3 34.18 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.069 0.461 . . . . 0.0 110.464 -176.137 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1899 ' ' GLN . . . . . 0.425 ' HG3' ' CG2' ' A' 1856 ' ' THR . 87.2 mm-40 -72.27 -14.61 61.81 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.681 179.651 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1900 ' ' ALA . . . . . . . . . . . . . . . -68.47 -26.74 65.64 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.859 -0.609 . . . . 0.0 111.494 179.231 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1901 ' ' LYS . . . . . 0.449 ' HB3' ' HD3' ' A' 1902 ' ' PRO . 85.4 tttt -71.06 -57.87 4.5 Favored Pre-proline 0 CA--C 1.538 0.492 0 C-N-CA 121.096 -0.241 . . . . 0.0 111.173 -178.361 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1902 ' ' PRO . . . . . 0.449 ' HD3' ' HB3' ' A' 1901 ' ' LYS . 31.1 Cg_endo -64.79 -32.34 56.34 Favored 'Trans proline' 0 C--N 1.356 0.923 0 C-N-CA 121.843 1.696 . . . . 0.0 112.169 179.076 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1903 ' ' ALA . . . . . . . . . . . . . . . -68.86 -28.66 66.91 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.985 179.562 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1904 ' ' ALA . . . . . 0.419 ' HA ' ' HA2' ' A' 1913 ' ' GLY . . . -78.94 -47.06 17.08 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.97 0.415 . . . . 0.0 110.748 -179.529 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1905 ' ' VAL . . . . . 0.449 HG22 ' HA ' ' A' 1902 ' ' PRO . 34.9 m -72.49 -27.47 26.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.0 -0.546 . . . . 0.0 111.476 -177.324 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1906 ' ' ALA . . . . . . . . . . . . . . . -105.78 21.98 16.35 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.798 0.332 . . . . 0.0 110.78 179.413 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1907 ' ' ALA . . . . . . . . . . . . . . . -74.31 130.63 40.06 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.309 179.843 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1908 ' ' GLU . . . . . . . . . . . . . 12.1 mp0 -55.11 -47.93 74.31 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.575 -0.739 . . . . 0.0 111.935 175.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1909 ' ' ASN . . . . . 0.609 ' HB2' HG13 ' A' 1912 ' ' ILE . 92.1 m-20 -118.8 163.05 17.46 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.443 -171.28 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1910 ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -56.32 -54.32 46.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.226 -0.897 . . . . 0.0 111.326 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1911 ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -66.92 -31.52 72.17 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.779 -173.618 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1912 ' ' ILE . . . . . 0.609 HG13 ' HB2' ' A' 1909 ' ' ASN . 43.1 mt -59.09 -54.05 39.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 C-N-CA 121.1 -0.24 . . . . 0.0 110.747 -177.401 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1913 ' ' GLY . . . . . 0.419 ' HA2' ' HA ' ' A' 1904 ' ' ALA . . . -65.55 -31.21 79.4 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.473 -177.701 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1914 ' ' ALA . . . . . . . . . . . . . . . -76.88 -48.91 16.94 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.781 0.324 . . . . 0.0 110.998 -177.695 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1915 ' ' HIS . . . . . 0.627 ' O ' ' HG2' ' A' 1919 ' ' ARG . 23.1 m80 -59.99 -44.22 94.66 Favored 'General case' 0 CA--C 1.518 -0.257 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.688 -175.334 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1916 ' ' ILE . . . . . 0.46 HG13 ' O ' ' A' 1912 ' ' ILE . 91.6 mt -52.55 -52.42 26.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 O-C-N 123.462 0.476 . . . . 0.0 111.29 -178.781 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1917 ' ' LYS . . . . . . . . . . . . . 56.9 mtmt -66.27 -37.51 85.62 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.293 -177.59 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1918 ' ' HIS . . . . . . . . . . . . . 31.7 m80 -64.31 -33.4 75.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.816 0.341 . . . . 0.0 111.332 179.103 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1919 ' ' ARG . . . . . 0.627 ' HG2' ' O ' ' A' 1915 ' ' HIS . 26.4 mmt180 -77.69 -47.84 18.21 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.925 -0.31 . . . . 0.0 111.046 -177.063 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1920 ' ' VAL . . . . . . . . . . . . . 34.5 m -66.14 -34.37 69.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 C-N-CA 120.998 -0.281 . . . . 0.0 110.988 -178.785 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1921 ' ' GLN . . . . . . . . . . . . . 53.4 tt0 -62.53 -41.2 98.72 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-O 121.223 0.535 . . . . 0.0 110.105 177.299 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1922 ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -73.89 -35.21 64.66 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.267 178.379 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1923 ' ' LEU . . . . . . . . . . . . . 24.8 mt -59.55 -34.61 72.88 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.409 -0.359 . . . . 0.0 110.442 174.303 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1924 ' ' GLY . . . . . . . . . . . . . . . -57.67 -35.88 75.97 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.881 -0.676 . . . . 0.0 112.26 177.495 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1925 ' ' HIS . . . . . . . . . . . . . 29.7 m170 -78.61 -30.57 46.64 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.998 0.428 . . . . 0.0 110.622 179.686 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1926 ' ' GLY . . . . . . . . . . . . . . . -77.84 -46.29 9.71 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.912 -0.661 . . . . 0.0 112.473 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1927 ' ' CYS . . . . . . . . . . . . . 68.8 m -64.28 -42.25 96.51 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.504 0.192 . . . . 0.0 111.016 -178.595 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1928 ' ' SER . . . . . . . . . . . . . 26.8 p -61.57 -44.92 96.15 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.978 0.418 . . . . 0.0 110.778 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1929 ' ' ALA . . . . . 0.475 ' O ' ' HG2' ' A' 1933 ' ' LYS . . . -62.63 -45.87 90.87 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.588 177.508 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1930 ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.8 -52.4 65.61 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.046 -177.618 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1931 ' ' VAL . . . . . . . . . . . . . 29.1 m -65.23 -28.19 43.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 120.833 0.349 . . . . 0.0 111.243 -176.612 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1932 ' ' THR . . . . . . . . . . . . . 85.7 m -70.5 -41.8 72.17 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.925 0.393 . . . . 0.0 110.21 175.92 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1933 ' ' LYS . . . . . 0.475 ' HG2' ' O ' ' A' 1929 ' ' ALA . 74.3 mmtt -68.17 -40.57 82.28 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.41 177.611 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1934 ' ' ALA . . . . . 0.495 ' O ' ' HB2' ' A' 1938 ' ' GLN . . . -58.89 -39.8 82.54 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.468 175.608 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1935 ' ' GLY . . . . . . . . . . . . . . . -69.37 -34.23 74.11 Favored Glycine 0 N--CA 1.449 -0.474 0 C-N-CA 120.964 -0.636 . . . . 0.0 112.178 177.686 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1936 ' ' ALA . . . . . . . . . . . . . . . -73.43 -45.35 54.96 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.772 0.32 . . . . 0.0 111.12 -179.497 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1937 ' ' LEU . . . . . 0.499 ' N ' HG21 ' A' 1946 ' ' THR . 37.8 tp -67.48 -24.96 65.65 Favored 'General case' 0 CA--C 1.516 -0.327 0 CA-C-O 121.555 0.693 . . . . 0.0 109.789 178.443 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1938 ' ' GLN . . . . . 0.496 ' HG3' ' O ' ' A' 1879 ' ' PRO . 34.7 tt0 -67.16 -26.9 66.88 Favored 'General case' 0 N--CA 1.444 -0.742 0 CA-C-N 115.029 -0.987 . . . . 0.0 109.8 178.048 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1939 ' ' CYS . . . . . . . . . . . . . 66.2 m -86.17 -43.66 12.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.525 176.923 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1940 ' ' SER . . . . . . . . . . . . . 14.6 m -114.79 90.11 21.27 Favored Pre-proline 0 C--N 1.325 -0.5 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.331 -179.156 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1941 ' ' PRO . . . . . 0.624 ' HB3' ' HG3' ' A' 1879 ' ' PRO . 40.9 Cg_endo -70.07 -25.16 27.46 Favored 'Trans proline' 0 C--O 1.235 0.336 0 C-N-CA 122.879 2.386 . . . . 0.0 113.362 -174.71 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1942 ' ' SER . . . . . . . . . . . . . 20.1 m -99.74 7.01 45.42 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.746 0.308 . . . . 0.0 111.138 -176.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1943 ' ' ASP . . . . . . . . . . . . . 21.1 t70 -86.64 104.55 16.17 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.137 0.494 . . . . 0.0 109.828 179.15 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1944 ' ' VAL . . . . . . . . . . . . . 9.0 p -69.96 -27.92 34.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 116.046 -0.524 . . . . 0.0 111.047 -175.534 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1945 ' ' TYR . . . . . 0.487 ' O ' ' HG3' ' A' 1949 ' ' GLU . 91.4 m-85 -61.85 -53.59 53.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.939 0.399 . . . . 0.0 110.513 -178.429 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1946 ' ' THR . . . . . 0.499 HG21 ' N ' ' A' 1937 ' ' LEU . 62.8 m -60.85 -40.48 93.05 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.625 178.466 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1947 ' ' LYS . . . . . . . . . . . . . 30.0 ttpt -60.9 -47.58 85.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.165 178.891 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1948 ' ' LYS . . . . . 0.509 ' HE2' ' HA ' ' A' 1948 ' ' LYS . 7.6 mmpt? -54.22 -49.84 68.52 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.912 179.086 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1949 ' ' GLU . . . . . 0.487 ' HG3' ' O ' ' A' 1945 ' ' TYR . 34.2 mt-10 -57.91 -41.79 83.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.782 -179.612 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1950 ' ' LEU . . . . . 0.713 HD11 HD22 ' A' 1882 ' ' LEU . 6.4 tt -61.32 -49.92 75.07 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.08 179.733 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1951 ' ' ILE . . . . . 0.466 ' HA ' HG12 ' A' 1872 ' ' VAL . 1.8 mp -61.38 -49.11 85.87 Favored 'Isoleucine or valine' 0 C--O 1.235 0.338 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.082 179.383 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1952 ' ' GLU . . . . . 0.562 ' O ' ' HG3' ' A' 1956 ' ' ARG . 45.8 mt-10 -64.4 -33.92 76.97 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.581 -176.846 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1953 ' ' CYS . . . . . . . . . . . . . 35.1 t -72.42 -45.97 57.22 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.731 0.3 . . . . 0.0 110.977 -179.701 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1954 ' ' ALA . . . . . . . . . . . . . . . -64.1 -43.0 96.69 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 112.042 0.386 . . . . 0.0 112.042 -175.312 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1955 ' ' ARG . . . . . 0.465 ' HG2' ' O ' ' A' 1951 ' ' ILE . 8.5 ptp180 -64.71 -24.14 67.47 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.724 0.297 . . . . 0.0 111.196 -179.003 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1956 ' ' ARG . . . . . 0.562 ' HG3' ' O ' ' A' 1952 ' ' GLU . 80.1 mtp180 -78.65 -47.91 16.1 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-O 120.783 0.325 . . . . 0.0 110.739 177.658 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1957 ' ' VAL . . . . . 0.518 ' O ' HG13 ' A' 1961 ' ' VAL . 14.9 m -68.32 -22.87 27.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.555 -174.916 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1958 ' ' SER . . . . . 0.523 ' O ' HG22 ' A' 1961 ' ' VAL . 48.4 t -63.57 -26.1 68.54 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.995 0.426 . . . . 0.0 110.357 177.15 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1959 ' ' GLU . . . . . . . . . . . . . 44.5 mm-40 -82.11 -34.18 29.37 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.043 0.449 . . . . 0.0 110.494 173.429 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1960 ' ' LYS . . . . . . . . . . . . . 34.0 mtpt -68.41 -29.51 68.21 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.26 -178.262 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1961 ' ' VAL . . . . . 0.801 HG21 ' HB2' ' A' 1865 ' ' ALA . 13.9 m -72.55 -33.93 46.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-O 121.202 0.525 . . . . 0.0 110.025 173.363 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1962 ' ' SER . . . . . 0.605 ' HA ' HD12 ' A' 1965 ' ' LEU . 23.5 t -68.94 -24.57 64.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.76 -0.655 . . . . 0.0 109.676 178.627 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1963 ' ' HIS . . . . . . . . . . . . . 55.1 m170 -70.52 -30.89 67.76 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.088 176.951 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1964 ' ' VAL . . . . . 0.542 HG11 HD11 ' A' 1896 ' ' LEU . 97.4 t -67.24 -46.24 84.48 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.296 0 N-CA-C 108.92 -0.77 . . . . 0.0 108.92 172.499 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1965 ' ' LEU . . . . . 0.605 HD12 ' HA ' ' A' 1962 ' ' SER . 59.9 mt -54.62 -50.23 68.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.049 -0.978 . . . . 0.0 110.7 178.616 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1966 ' ' ALA . . . . . . . . . . . . . . . -69.18 -40.61 78.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.847 -176.826 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1967 ' ' ALA . . . . . . . . . . . . . . . -60.09 -33.65 72.39 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.085 0.469 . . . . 0.0 111.294 -178.683 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1968 ' ' LEU . . . . . 0.887 HD11 ' HG3' ' A' 1857 ' ' MET . 51.7 mt -76.97 -18.08 58.46 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.452 -179.043 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1969 ' ' GLN . . . . . 0.464 ' HG3' ' O ' ' A' 1965 ' ' LEU . 76.7 mt-30 . . . . . 0 C--N 1.324 -0.503 0 CA-C-O 120.856 0.36 . . . . 0.0 111.391 -175.528 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1850 ' ' PHE . . . . . . . . . . . . . 79.1 t80 . . . . . 0 CA--C 1.53 0.207 0 CA-C-O 120.933 0.397 . . . . 0.0 111.393 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A 1851 ' ' VAL . . . . . . . . . . . . . 33.7 m -54.47 -34.9 29.76 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.336 0 N-CA-C 112.804 0.668 . . . . 0.0 112.804 -174.203 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1852 ' ' ASP . . . . . . . . . . . . . 25.7 t70 -68.98 -49.27 59.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.82 0.343 . . . . 0.0 110.735 -178.697 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1853 ' ' TYR . . . . . 0.52 ' O ' ' HG2' ' A' 1857 ' ' MET . 62.0 m-85 -62.21 -37.41 85.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.796 -0.638 . . . . 0.0 109.851 178.116 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1854 ' ' GLN . . . . . 0.601 ' HG3' ' HB3' ' A' 1968 ' ' LEU . 26.5 tt0 -56.1 -51.95 66.08 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.172 -0.922 . . . . 0.0 110.532 174.182 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1855 ' ' THR . . . . . 0.542 ' O ' ' HG2' ' A' 1859 ' ' ARG . 59.0 m -56.08 -44.81 79.34 Favored 'General case' 0 CA--C 1.531 0.235 0 CA-C-N 115.544 -0.753 . . . . 0.0 112.436 -173.583 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1856 ' ' THR . . . . . 0.479 HG23 ' N ' ' A' 1857 ' ' MET . 8.9 t -65.56 -49.4 69.01 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.967 0.413 . . . . 0.0 111.927 -175.274 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1857 ' ' MET . . . . . 0.557 ' HG3' ' CD1' ' A' 1968 ' ' LEU . 6.3 ptm -82.48 -18.69 40.78 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 112.578 0.584 . . . . 0.0 112.578 -172.016 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1858 ' ' VAL . . . . . 0.534 HG13 ' O ' ' A' 1854 ' ' GLN . 33.2 m -67.57 -38.73 81.04 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.305 0 C-N-CA 119.466 -0.894 . . . . 0.0 109.08 171.081 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1859 ' ' ARG . . . . . 0.542 ' HG2' ' O ' ' A' 1855 ' ' THR . 21.0 mmm180 -66.64 -43.92 83.33 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.026 -0.533 . . . . 0.0 109.925 177.954 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1860 ' ' THR . . . . . 0.478 ' O ' HG13 ' A' 1864 ' ' ILE . 62.3 m -64.37 -42.56 96.12 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.404 -0.816 . . . . 0.0 111.462 -178.487 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1861 ' ' ALA . . . . . . . . . . . . . . . -58.82 -41.35 86.64 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.94 0.4 . . . . 0.0 110.901 179.441 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1862 ' ' LYS . . . . . . . . . . . . . 48.0 mttm -66.04 -38.1 87.55 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.485 178.773 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1863 ' ' ALA . . . . . . . . . . . . . . . -67.47 -36.8 81.85 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.588 -179.575 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1864 ' ' ILE . . . . . 0.478 HG13 ' O ' ' A' 1860 ' ' THR . 70.7 mt -67.53 -43.96 86.84 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.058 175.598 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1865 ' ' ALA . . . . . 0.845 ' HB2' HG21 ' A' 1961 ' ' VAL . . . -57.26 -44.94 84.35 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.885 -178.785 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1866 ' ' VAL . . . . . 0.646 ' HA ' ' HG2' ' A' 1869 ' ' GLN . 10.0 p -71.99 -30.18 35.8 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 C-N-CA 120.564 -0.454 . . . . 0.0 110.603 179.648 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1867 ' ' THR . . . . . . . . . . . . . 97.1 m -69.31 -46.35 67.34 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.732 0.301 . . . . 0.0 110.867 178.577 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1868 ' ' VAL . . . . . . . . . . . . . 32.7 m -66.94 -32.19 56.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-O 120.788 0.328 . . . . 0.0 110.706 -179.369 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1869 ' ' GLN . . . . . 0.646 ' HG2' ' HA ' ' A' 1866 ' ' VAL . 9.5 pt20 -78.65 -27.94 45.34 Favored 'General case' 0 N--CA 1.45 -0.427 0 C-N-CA 120.782 -0.367 . . . . 0.0 110.396 178.693 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1870 ' ' GLU . . . . . . . . . . . . . 29.0 mt-10 -61.77 -37.54 84.71 Favored 'General case' 0 C--O 1.222 -0.347 0 N-CA-C 109.827 -0.435 . . . . 0.0 109.827 171.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1871 ' ' MET . . . . . 0.474 ' HB3' HD21 ' A' 1950 ' ' LEU . 8.1 mtt -55.44 -48.88 73.76 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.948 178.257 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1872 ' ' VAL . . . . . 1.001 ' HB ' HG13 ' A' 1951 ' ' ILE . 1.6 m -70.82 -29.1 36.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-O 121.489 0.661 . . . . 0.0 110.68 -177.347 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1873 ' ' THR . . . . . . . . . . . . . 49.7 m -80.28 -36.93 33.78 Favored 'General case' 0 N--CA 1.441 -0.898 0 CA-C-N 115.072 -0.967 . . . . 0.0 111.619 -177.936 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1874 ' ' LYS . . . . . . . . . . . . . 68.8 mmtt -74.28 -38.54 63.38 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.091 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1875 ' ' SER . . . . . 0.564 ' HB3' HD11 ' A' 1882 ' ' LEU . 3.9 p -61.53 -10.96 9.07 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 112.431 0.53 . . . . 0.0 112.431 -175.252 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1876 ' ' ASN . . . . . . . . . . . . . 92.3 m-20 -61.85 -43.61 98.49 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.93 0.395 . . . . 0.0 110.61 175.285 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1877 ' ' THR . . . . . . . . . . . . . 43.5 p -130.81 -7.75 4.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 0.0 112.191 -174.837 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1878 ' ' SER . . . . . . . . . . . . . 36.2 m -142.25 105.15 5.58 Favored Pre-proline 0 C--N 1.322 -0.591 0 CA-C-N 116.566 -0.288 . . . . 0.0 111.304 -173.401 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1879 ' ' PRO . . . . . 0.829 ' HA ' HD12 ' A' 1882 ' ' LEU . 30.7 Cg_endo -90.88 -24.28 0.46 Allowed 'Trans proline' 0 N--CA 1.448 -1.195 0 C-N-CA 121.705 1.603 . . . . 0.0 112.797 176.356 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1880 ' ' GLU . . . . . . . . . . . . . 44.0 mm-40 -73.09 -30.66 63.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.763 0.316 . . . . 0.0 110.746 -178.949 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1881 ' ' GLU . . . . . . . . . . . . . 36.8 mm-40 -65.09 -15.18 62.09 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.394 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1882 ' ' LEU . . . . . 0.829 HD12 ' HA ' ' A' 1879 ' ' PRO . 1.0 OUTLIER -78.97 -14.14 59.38 Favored 'General case' 0 N--CA 1.44 -0.926 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.052 -177.553 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A 1883 ' ' GLY . . . . . . . . . . . . . . . -62.25 -60.34 8.08 Favored Glycine 0 CA--C 1.52 0.396 0 C-N-CA 120.918 -0.658 . . . . 0.0 111.898 175.307 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1884 ' ' PRO . . . . . . . . . . . . . 34.8 Cg_exo -58.86 -39.63 79.65 Favored 'Trans proline' 0 C--N 1.349 0.586 0 C-N-CA 122.64 2.227 . . . . 0.0 112.241 174.816 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1885 ' ' LEU . . . . . 0.411 HD23 ' HA ' ' A' 1885 ' ' LEU . 48.2 mt -61.38 -34.95 76.18 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-N 116.597 -0.274 . . . . 0.0 111.312 -179.529 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1886 ' ' ALA . . . . . 0.496 ' HB1' ' HB ' ' A' 1931 ' ' VAL . . . -64.7 -43.46 93.42 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.959 0.409 . . . . 0.0 110.524 177.147 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1887 ' ' ASN . . . . . . . . . . . . . 92.6 m-20 -66.68 -40.27 88.47 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.154 -0.475 . . . . 0.0 109.87 177.279 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1888 ' ' GLN . . . . . . . . . . . . . 53.8 tp60 -58.28 -50.88 72.02 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.39 -0.823 . . . . 0.0 110.974 178.305 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1889 ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -54.99 -52.33 63.43 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 177.356 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1890 ' ' THR . . . . . . . . . . . . . 79.2 m -55.12 -42.11 72.54 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 114.849 -1.069 . . . . 0.0 111.763 -179.646 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1891 ' ' SER . . . . . . . . . . . . . 32.4 m -65.5 -48.69 71.72 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.2 -177.937 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1892 ' ' ASP . . . . . 0.402 ' HB3' HG12 ' A' 1864 ' ' ILE . 0.4 OUTLIER -71.54 -35.07 70.54 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.563 -0.29 . . . . 0.0 111.437 -178.125 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A 1893 ' ' TYR . . . . . . . . . . . . . 20.9 t80 -58.93 -43.54 91.18 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 110.091 -0.337 . . . . 0.0 110.091 173.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1894 ' ' GLY . . . . . 0.456 ' O ' ' HB2' ' A' 1898 ' ' SER . . . -58.59 -33.85 73.81 Favored Glycine 0 N--CA 1.449 -0.459 0 C-N-CA 121.047 -0.597 . . . . 0.0 112.013 178.048 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1895 ' ' ARG . . . . . . . . . . . . . 45.4 ttm180 -73.85 -45.86 48.48 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.846 0.355 . . . . 0.0 110.206 178.591 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1896 ' ' LEU . . . . . 0.664 HD11 HG11 ' A' 1964 ' ' VAL . 46.1 tp -60.67 -49.72 76.39 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.805 179.262 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1897 ' ' ALA . . . . . . . . . . . . . . . -65.26 -23.07 66.95 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.217 -179.377 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1898 ' ' SER . . . . . 0.456 ' HB2' ' O ' ' A' 1894 ' ' GLY . 9.1 t -79.39 -36.21 39.51 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 109.581 -0.526 . . . . 0.0 109.581 -177.0 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1899 ' ' GLN . . . . . 0.487 ' HA ' ' OE1' ' A' 1899 ' ' GLN . 8.1 mm-40 -76.33 -13.8 60.13 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.728 179.502 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1900 ' ' ALA . . . . . . . . . . . . . . . -67.93 -22.87 65.04 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.98 178.271 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1901 ' ' LYS . . . . . 0.661 ' HB3' ' HD3' ' A' 1902 ' ' PRO . 11.3 tmtt? -75.08 -57.43 1.76 Allowed Pre-proline 0 CA--C 1.541 0.616 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.861 -178.386 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1902 ' ' PRO . . . . . 0.661 ' HD3' ' HB3' ' A' 1901 ' ' LYS . 15.1 Cg_exo -67.81 -29.5 35.19 Favored 'Trans proline' 0 C--N 1.357 1.013 0 C-N-CA 122.08 1.853 . . . . 0.0 112.239 -178.83 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1903 ' ' ALA . . . . . . . . . . . . . . . -69.12 -34.13 74.56 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.791 179.383 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1904 ' ' ALA . . . . . . . . . . . . . . . -78.14 -38.01 44.77 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.053 -177.804 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1905 ' ' VAL . . . . . 0.527 HG22 ' HA ' ' A' 1902 ' ' PRO . 21.9 m -74.3 -26.55 20.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.365 -177.305 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1906 ' ' ALA . . . . . . . . . . . . . . . -96.94 -3.67 41.35 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.661 0.267 . . . . 0.0 111.04 179.109 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1907 ' ' ALA . . . . . . . . . . . . . . . -57.56 122.01 11.7 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.542 -177.28 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1908 ' ' GLU . . . . . . . . . . . . . 55.9 mp0 -66.31 -18.81 65.58 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.553 -0.749 . . . . 0.0 111.389 -179.511 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1909 ' ' ASN . . . . . 0.73 ' HB3' HG13 ' A' 1912 ' ' ILE . 18.9 t-20 -127.71 154.65 45.08 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.735 -171.063 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1910 ' ' GLU . . . . . . . . . . . . . 15.1 tp10 -56.47 -51.3 68.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.625 177.027 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1911 ' ' GLU . . . . . 0.517 ' HB3' ' CD2' ' A' 1915 ' ' HIS . 7.7 mt-10 -77.14 -31.47 55.69 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.604 -0.726 . . . . 0.0 112.247 -172.197 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1912 ' ' ILE . . . . . 0.73 HG13 ' HB3' ' A' 1909 ' ' ASN . 86.1 mt -52.58 -53.57 19.64 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.351 0 CA-C-O 120.738 0.304 . . . . 0.0 110.526 -179.795 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1913 ' ' GLY . . . . . . . . . . . . . . . -73.48 -29.21 64.21 Favored Glycine 0 N--CA 1.449 -0.477 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.381 -179.426 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1914 ' ' ALA . . . . . . . . . . . . . . . -69.09 -50.88 44.22 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 110.306 -0.257 . . . . 0.0 110.306 -178.546 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1915 ' ' HIS . . . . . 0.619 ' O ' ' HG2' ' A' 1919 ' ' ARG . 76.5 m-70 -56.71 -43.81 80.95 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.964 -177.227 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1916 ' ' ILE . . . . . . . . . . . . . 93.2 mt -55.47 -58.26 5.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.236 179.793 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1917 ' ' LYS . . . . . . . . . . . . . 55.3 mtmt -66.15 -24.66 66.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.338 -178.287 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1918 ' ' HIS . . . . . . . . . . . . . 2.2 m80 -73.5 -39.85 64.53 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.001 0.429 . . . . 0.0 111.09 177.209 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1919 ' ' ARG . . . . . 0.619 ' HG2' ' O ' ' A' 1915 ' ' HIS . 27.2 mmt180 -81.27 -36.44 29.89 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.286 -0.416 . . . . 0.0 112.063 -173.881 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1920 ' ' VAL . . . . . . . . . . . . . 20.8 m -68.84 -23.84 27.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 121.215 0.531 . . . . 0.0 109.844 175.804 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1921 ' ' GLN . . . . . . . . . . . . . 24.0 tm0? -67.71 -35.22 78.38 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.6 -0.727 . . . . 0.0 109.974 177.211 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1922 ' ' GLU . . . . . 0.639 ' HB3' ' HD3' ' A' 1960 ' ' LYS . 45.9 mt-10 -62.26 -48.59 79.27 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.706 0.765 . . . . 0.0 109.794 174.274 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1923 ' ' LEU . . . . . 0.644 ' HG ' ' SG ' ' A' 1927 ' ' CYS . 20.1 tp -65.35 -28.81 69.55 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 114.767 -1.106 . . . . 0.0 111.231 -174.502 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1924 ' ' GLY . . . . . . . . . . . . . . . -54.83 -51.53 52.48 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 121.239 -0.505 . . . . 0.0 112.794 -179.438 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1925 ' ' HIS . . . . . . . . . . . . . 32.5 m170 -70.67 -34.95 72.55 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.812 0.339 . . . . 0.0 110.52 179.562 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1926 ' ' GLY . . . . . 0.423 ' O ' ' HB2' ' A' 1930 ' ' LEU . . . -63.3 -43.2 98.79 Favored Glycine 0 N--CA 1.448 -0.512 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.254 179.441 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1927 ' ' CYS . . . . . 0.644 ' SG ' ' HG ' ' A' 1923 ' ' LEU . 75.6 m -65.46 -46.29 80.39 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.351 0.12 . . . . 0.0 111.175 -178.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1928 ' ' SER . . . . . . . . . . . . . 28.8 p -64.29 -37.65 88.23 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.817 0.341 . . . . 0.0 110.932 -177.16 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1929 ' ' ALA . . . . . . . . . . . . . . . -70.64 -45.54 64.98 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.68 177.556 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1930 ' ' LEU . . . . . 0.423 ' HB2' ' O ' ' A' 1926 ' ' GLY . 0.4 OUTLIER -62.57 -50.3 71.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.432 -177.19 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A 1931 ' ' VAL . . . . . 0.496 ' HB ' ' HB1' ' A' 1886 ' ' ALA . 26.6 m -64.25 -28.02 43.98 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.172 0 CA-C-O 120.866 0.365 . . . . 0.0 111.196 -176.527 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1932 ' ' THR . . . . . . . . . . . . . 75.0 m -71.22 -42.03 69.45 Favored 'General case' 0 N--CA 1.451 -0.391 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.417 176.449 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1933 ' ' LYS . . . . . . . . . . . . . 32.9 mmtp -73.36 -26.96 61.23 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.888 179.163 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1934 ' ' ALA . . . . . . . . . . . . . . . -61.01 -50.15 74.54 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.147 0.499 . . . . 0.0 109.97 174.152 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1935 ' ' GLY . . . . . 0.49 ' O ' ' HG3' ' A' 1938 ' ' GLN . . . -69.7 -30.45 70.67 Favored Glycine 0 N--CA 1.447 -0.596 0 CA-C-N 115.616 -0.72 . . . . 0.0 112.115 177.098 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1936 ' ' ALA . . . . . . . . . . . . . . . -69.66 -39.62 76.96 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.743 0.306 . . . . 0.0 110.93 179.432 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1937 ' ' LEU . . . . . . . . . . . . . 64.9 tp -69.43 -34.26 74.17 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.319 -178.051 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1938 ' ' GLN . . . . . 0.655 ' HB3' ' O ' ' A' 1879 ' ' PRO . 0.0 OUTLIER -72.32 -25.69 61.66 Favored 'General case' 0 C--N 1.321 -0.64 0 C-N-CA 119.649 -0.821 . . . . 0.0 110.505 177.303 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A 1939 ' ' CYS . . . . . . . . . . . . . 74.7 m -76.19 -33.44 59.29 Favored 'General case' 0 CA--C 1.532 0.258 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.802 173.282 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1940 ' ' SER . . . . . . . . . . . . . 33.1 m -129.21 78.61 75.75 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 120.829 0.347 . . . . 0.0 110.536 177.837 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1941 ' ' PRO . . . . . 0.531 ' HB3' ' HG3' ' A' 1879 ' ' PRO . 7.1 Cg_exo -74.81 -24.53 13.16 Favored 'Trans proline' 0 C--N 1.342 0.233 0 C-N-CA 123.179 2.586 . . . . 0.0 112.95 -173.596 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1942 ' ' SER . . . . . . . . . . . . . 20.4 m -84.71 -15.29 45.7 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.762 -177.542 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1943 ' ' ASP . . . . . . . . . . . . . 36.4 t70 -81.65 112.44 18.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.009 -179.711 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1944 ' ' VAL . . . . . . . . . . . . . 8.0 p -71.07 -28.25 32.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.972 -176.204 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1945 ' ' TYR . . . . . 0.425 ' O ' ' HG3' ' A' 1949 ' ' GLU . 95.3 m-85 -69.78 -42.23 74.08 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 111.748 0.277 . . . . 0.0 111.748 -173.817 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1946 ' ' THR . . . . . . . . . . . . . 91.8 m -57.95 -40.24 80.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.17 0.509 . . . . 0.0 110.102 173.389 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1947 ' ' LYS . . . . . 0.434 ' HE2' ' HB3' ' A' 1947 ' ' LYS . 32.4 ttpt -66.43 -45.97 78.08 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.544 177.783 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1948 ' ' LYS . . . . . 0.506 ' O ' ' HG3' ' A' 1952 ' ' GLU . 0.0 OUTLIER -53.38 -53.25 53.89 Favored 'General case' 0 CA--C 1.519 -0.242 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.585 -179.95 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A 1949 ' ' GLU . . . . . 0.425 ' HG3' ' O ' ' A' 1945 ' ' TYR . 35.1 mt-10 -55.76 -38.45 69.86 Favored 'General case' 0 C--O 1.225 -0.192 0 O-C-N 123.73 0.643 . . . . 0.0 111.191 -177.786 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1950 ' ' LEU . . . . . 0.688 HD11 HD22 ' A' 1882 ' ' LEU . 9.7 tt -63.1 -48.84 76.87 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.503 -179.863 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1951 ' ' ILE . . . . . 1.001 HG13 ' HB ' ' A' 1872 ' ' VAL . 1.8 mp -63.04 -40.53 89.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 121.092 0.472 . . . . 0.0 110.027 177.618 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1952 ' ' GLU . . . . . 0.574 ' O ' ' HG3' ' A' 1956 ' ' ARG . 43.4 mt-10 -69.43 -22.48 63.67 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.576 -179.035 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1953 ' ' CYS . . . . . . . . . . . . . 63.8 m -80.16 -43.97 20.68 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.3 177.404 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1954 ' ' ALA . . . . . 0.438 ' HA ' HG22 ' A' 1957 ' ' VAL . . . -59.61 -41.69 90.95 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.099 -179.034 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1955 ' ' ARG . . . . . 0.407 ' HG3' ' O ' ' A' 1952 ' ' GLU . 0.0 OUTLIER -63.01 -24.44 67.92 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.835 0.35 . . . . 0.0 110.949 179.878 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A 1956 ' ' ARG . . . . . 0.574 ' HG3' ' O ' ' A' 1952 ' ' GLU . 97.8 mtt180 -76.29 -48.59 19.62 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.185 0.517 . . . . 0.0 109.883 177.566 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1957 ' ' VAL . . . . . 0.593 ' O ' HG13 ' A' 1961 ' ' VAL . 13.0 m -74.2 -27.87 22.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.833 -0.622 . . . . 0.0 111.868 -173.371 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1958 ' ' SER . . . . . 0.581 ' O ' HG22 ' A' 1961 ' ' VAL . 14.9 m -65.31 -24.62 67.32 Favored 'General case' 0 CA--C 1.531 0.232 0 CA-C-O 121.198 0.523 . . . . 0.0 110.365 179.902 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1959 ' ' GLU . . . . . . . . . . . . . 28.0 mm-40 -80.24 -35.07 36.64 Favored 'General case' 0 CA--C 1.517 -0.326 0 N-CA-C 109.919 -0.4 . . . . 0.0 109.919 173.474 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1960 ' ' LYS . . . . . 0.639 ' HD3' ' HB3' ' A' 1922 ' ' GLU . 67.6 mttm -66.44 -35.11 79.47 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.553 -179.358 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1961 ' ' VAL . . . . . 0.845 HG21 ' HB2' ' A' 1865 ' ' ALA . 3.8 m -67.07 -34.41 69.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 N-CA-C 109.548 -0.538 . . . . 0.0 109.548 174.734 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1962 ' ' SER . . . . . 0.588 ' HA ' HD12 ' A' 1965 ' ' LEU . 35.5 m -73.33 -25.16 60.51 Favored 'General case' 0 N--CA 1.453 -0.319 0 CA-C-N 115.627 -0.715 . . . . 0.0 109.881 178.497 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1963 ' ' HIS . . . . . 0.607 ' HB3' ' HD2' ' A' 1919 ' ' ARG . 63.6 m170 -69.31 -35.08 75.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.179 176.087 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1964 ' ' VAL . . . . . 0.664 HG11 HD11 ' A' 1896 ' ' LEU . 66.5 t -65.75 -44.86 93.05 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.251 0 N-CA-C 108.888 -0.782 . . . . 0.0 108.888 174.511 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1965 ' ' LEU . . . . . 0.588 HD12 ' HA ' ' A' 1962 ' ' SER . 83.0 mt -55.53 -49.67 72.02 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.369 -0.832 . . . . 0.0 110.679 177.439 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1966 ' ' ALA . . . . . . . . . . . . . . . -63.01 -26.83 69.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.697 -179.532 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1967 ' ' ALA . . . . . . . . . . . . . . . -78.72 -34.86 45.64 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.075 0.464 . . . . 0.0 110.932 179.199 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1968 ' ' LEU . . . . . 0.601 ' HB3' ' HG3' ' A' 1854 ' ' GLN . 45.8 mt -79.05 -38.81 35.55 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.804 -0.634 . . . . 0.0 111.194 -176.236 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1969 ' ' GLN . . . . . . . . . . . . . 2.8 mp0 . . . . . 0 C--N 1.328 -0.362 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.291 176.452 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A 1850 ' ' PHE . . . . . . . . . . . . . 72.4 t80 . . . . . 0 N--CA 1.453 -0.276 0 CA-C-O 120.686 0.279 . . . . 0.0 110.74 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A 1851 ' ' VAL . . . . . . . . . . . . . 35.4 m -54.83 -37.6 41.42 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.182 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.995 178.529 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1852 ' ' ASP . . . . . . . . . . . . . 31.7 t70 -72.5 -51.76 18.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.768 0.318 . . . . 0.0 110.425 -177.013 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1853 ' ' TYR . . . . . 0.42 ' O ' ' HG2' ' A' 1857 ' ' MET . 75.1 m-85 -61.0 -40.83 95.0 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.953 179.824 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1854 ' ' GLN . . . . . 0.864 ' HG3' ' HB3' ' A' 1968 ' ' LEU . 6.4 tt0 -56.03 -60.25 3.75 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.812 0.339 . . . . 0.0 110.374 176.27 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1855 ' ' THR . . . . . 0.669 ' O ' ' HG2' ' A' 1859 ' ' ARG . 17.3 m -59.25 -45.96 89.77 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.615 -175.83 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1856 ' ' THR . . . . . . . . . . . . . 2.9 t -63.37 -45.8 89.48 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.846 -172.663 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1857 ' ' MET . . . . . 0.637 ' HB2' HD12 ' A' 1896 ' ' LEU . 22.6 ptm -82.63 -25.3 33.27 Favored 'General case' 0 C--N 1.329 -0.306 0 O-C-N 122.028 -0.42 . . . . 0.0 111.669 -172.501 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1858 ' ' VAL . . . . . 0.469 HG13 ' O ' ' A' 1854 ' ' GLN . 25.7 m -71.45 -31.15 42.06 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.108 0 C-N-CA 119.773 -0.771 . . . . 0.0 109.667 174.515 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1859 ' ' ARG . . . . . 0.669 ' HG2' ' O ' ' A' 1855 ' ' THR . 22.6 mmt180 -68.64 -35.24 77.01 Favored 'General case' 0 C--N 1.333 -0.148 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 173.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1860 ' ' THR . . . . . . . . . . . . . 29.4 m -68.71 -39.51 80.43 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.266 -0.879 . . . . 0.0 110.516 177.805 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1861 ' ' ALA . . . . . 0.414 ' HB1' ' HB ' ' A' 1961 ' ' VAL . . . -62.68 -37.24 85.65 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.085 0.469 . . . . 0.0 110.607 177.218 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1862 ' ' LYS . . . . . 0.428 ' HD2' ' HA ' ' A' 1859 ' ' ARG . 53.8 mttm -66.18 -37.18 84.99 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.415 176.478 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1863 ' ' ALA . . . . . . . . . . . . . . . -63.4 -39.7 95.21 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.208 0.527 . . . . 0.0 110.4 175.767 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1864 ' ' ILE . . . . . 0.637 ' O ' HG13 ' A' 1868 ' ' VAL . 79.6 mt -63.56 -48.41 87.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.031 174.93 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1865 ' ' ALA . . . . . 0.868 ' HB2' HG21 ' A' 1961 ' ' VAL . . . -57.43 -41.68 80.93 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.92 -0.582 . . . . 0.0 112.376 -177.469 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1866 ' ' VAL . . . . . 0.443 ' O ' ' HG3' ' A' 1870 ' ' GLU . 13.5 p -72.46 -33.15 44.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 C-N-CA 120.644 -0.422 . . . . 0.0 110.361 179.231 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1867 ' ' THR . . . . . 0.652 ' O ' ' HG3' ' A' 1871 ' ' MET . 97.3 m -64.77 -51.44 62.25 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.694 -0.23 . . . . 0.0 110.805 178.224 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1868 ' ' VAL . . . . . 0.637 HG13 ' O ' ' A' 1864 ' ' ILE . 3.2 m -60.5 -29.57 44.81 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.286 0 CA-C-O 121.706 0.765 . . . . 0.0 110.079 -179.319 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1869 ' ' GLN . . . . . . . . . . . . . 56.8 tp60 -77.34 -33.63 55.36 Favored 'General case' 0 N--CA 1.424 -1.762 0 CA-C-N 114.731 -1.122 . . . . 0.0 110.004 -178.396 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1870 ' ' GLU . . . . . 0.547 ' O ' ' HG2' ' A' 1874 ' ' LYS . 47.8 mt-10 -70.17 -38.72 75.47 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.115 172.682 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1871 ' ' MET . . . . . 0.652 ' HG3' ' O ' ' A' 1867 ' ' THR . 64.5 mtp -57.88 -43.04 85.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.059 -178.157 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1872 ' ' VAL . . . . . 0.55 HG12 ' HA ' ' A' 1951 ' ' ILE . 32.1 m -74.25 -28.85 23.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.801 0.334 . . . . 0.0 111.212 179.05 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1873 ' ' THR . . . . . . . . . . . . . 78.8 m -71.79 -48.71 44.7 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.433 178.202 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1874 ' ' LYS . . . . . 0.547 ' HG2' ' O ' ' A' 1870 ' ' GLU . 75.6 mmtt -66.41 -42.29 88.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.68 -175.827 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1875 ' ' SER . . . . . 0.647 ' HB3' HD11 ' A' 1882 ' ' LEU . 6.2 p -56.56 -14.24 3.0 Favored 'General case' 0 N--CA 1.468 0.461 0 N-CA-C 113.177 0.806 . . . . 0.0 113.177 -171.836 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1876 ' ' ASN . . . . . . . . . . . . . 52.3 m-80 -58.83 -46.33 87.94 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.78 0.324 . . . . 0.0 110.437 174.893 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1877 ' ' THR . . . . . . . . . . . . . 76.8 p -124.73 -23.89 4.25 Favored 'General case' 0 CA--C 1.534 0.355 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.959 -178.289 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1878 ' ' SER . . . . . 0.466 ' HB2' ' HB3' ' A' 1874 ' ' LYS . 70.5 m -109.27 98.92 33.86 Favored Pre-proline 0 C--N 1.325 -0.471 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.666 -174.951 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1879 ' ' PRO . . . . . 0.866 ' HA ' HD12 ' A' 1882 ' ' LEU . 33.1 Cg_endo -96.48 -18.88 0.25 Allowed 'Trans proline' 0 N--CA 1.442 -1.51 0 C-N-CA 121.985 1.79 . . . . 0.0 112.295 172.195 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1880 ' ' GLU . . . . . 0.412 ' HA ' ' HG3' ' A' 1938 ' ' GLN . 36.9 mt-10 -80.14 -43.81 20.99 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 121.014 0.435 . . . . 0.0 109.98 178.659 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1881 ' ' GLU . . . . . . . . . . . . . 26.6 tt0 -59.38 -14.61 12.56 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.36 -0.836 . . . . 0.0 111.345 178.581 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1882 ' ' LEU . . . . . 0.866 HD12 ' HA ' ' A' 1879 ' ' PRO . 5.8 mt -70.78 -16.86 62.78 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.287 -0.87 . . . . 0.0 112.112 -179.276 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1883 ' ' GLY . . . . . . . . . . . . . . . -62.95 -60.59 7.44 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.68 -0.771 . . . . 0.0 111.983 176.745 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1884 ' ' PRO . . . . . . . . . . . . . 61.1 Cg_exo -51.92 -44.7 43.45 Favored 'Trans proline' 0 C--N 1.348 0.502 0 C-N-CA 122.594 2.196 . . . . 0.0 112.439 174.652 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1885 ' ' LEU . . . . . 0.536 HD11 ' HG3' ' A' 1874 ' ' LYS . 65.0 mt -60.75 -44.22 96.98 Favored 'General case' 0 C--N 1.332 -0.165 0 N-CA-C 111.893 0.331 . . . . 0.0 111.893 -177.648 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1886 ' ' ALA . . . . . . . . . . . . . . . -61.96 -46.69 88.2 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.086 0.47 . . . . 0.0 110.818 179.632 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1887 ' ' ASN . . . . . . . . . . . . . 43.3 m-80 -68.54 -27.09 65.78 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.682 178.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1888 ' ' GLN . . . . . . . . . . . . . 27.9 tp60 -68.64 -47.08 67.51 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.144 178.056 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1889 ' ' LEU . . . . . 0.506 HD22 ' SG ' ' A' 1927 ' ' CYS . 1.0 OUTLIER -58.29 -45.24 88.31 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.162 -0.681 . . . . 0.0 109.162 175.883 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A 1890 ' ' THR . . . . . . . . . . . . . 33.1 m -57.85 -43.65 86.02 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.229 -0.896 . . . . 0.0 111.249 179.703 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1891 ' ' SER . . . . . . . . . . . . . 29.1 t -62.41 -55.24 29.7 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.589 -178.102 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1892 ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -66.63 -35.27 79.77 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 111.85 0.315 . . . . 0.0 111.85 -175.328 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1893 ' ' TYR . . . . . . . . . . . . . 50.6 t80 -60.55 -37.51 81.49 Favored 'General case' 0 C--N 1.332 -0.19 0 C-N-CA 120.401 -0.519 . . . . 0.0 110.582 177.281 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1894 ' ' GLY . . . . . . . . . . . . . . . -57.85 -41.32 94.05 Favored Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 120.772 -0.728 . . . . 0.0 111.699 178.111 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1895 ' ' ARG . . . . . . . . . . . . . 77.8 ttt180 -66.37 -44.93 81.78 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.957 0.408 . . . . 0.0 110.399 177.032 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1896 ' ' LEU . . . . . 0.637 HD12 ' HB2' ' A' 1857 ' ' MET . 53.4 tp -56.84 -53.36 58.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.745 -0.661 . . . . 0.0 111.035 178.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1897 ' ' ALA . . . . . . . . . . . . . . . -64.57 -23.39 67.25 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.966 -179.515 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1898 ' ' SER . . . . . . . . . . . . . 47.0 t -76.85 -37.81 54.91 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.184 -178.129 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1899 ' ' GLN . . . . . . . . . . . . . 25.5 mm-40 -77.01 -21.27 54.9 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.88 0.371 . . . . 0.0 110.383 179.495 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1900 ' ' ALA . . . . . . . . . . . . . . . -64.28 -31.81 73.15 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.671 -0.695 . . . . 0.0 111.618 -179.157 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1901 ' ' LYS . . . . . 0.674 ' HB3' ' HD3' ' A' 1902 ' ' PRO . 2.0 tmtp? -71.29 -58.17 4.09 Favored Pre-proline 0 CA--C 1.54 0.572 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.261 -175.45 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1902 ' ' PRO . . . . . 0.674 ' HD3' ' HB3' ' A' 1901 ' ' LYS . 11.3 Cg_exo -71.39 -17.45 30.58 Favored 'Trans proline' 0 C--N 1.353 0.805 0 C-N-CA 122.087 1.858 . . . . 0.0 112.197 -177.42 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1903 ' ' ALA . . . . . . . . . . . . . . . -74.61 -35.02 62.94 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.979 0.419 . . . . 0.0 110.347 176.521 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1904 ' ' ALA . . . . . . . . . . . . . . . -73.15 -29.85 63.16 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.658 -177.366 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1905 ' ' VAL . . . . . 0.577 HG22 ' HA ' ' A' 1902 ' ' PRO . 32.6 m -89.93 -12.74 9.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.993 179.166 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1906 ' ' ALA . . . . . . . . . . . . . . . -82.72 -45.18 14.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.27 -0.423 . . . . 0.0 109.912 176.818 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1907 ' ' ALA . . . . . . . . . . . . . . . -67.77 131.29 45.27 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.635 178.427 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1908 ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -91.55 -23.7 19.84 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.46 -178.786 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1909 ' ' ASN . . . . . . . . . . . . . 95.0 m-20 -74.66 135.84 41.92 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.929 -0.397 . . . . 0.0 109.929 177.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1910 ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -56.33 -53.81 52.86 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.483 -0.78 . . . . 0.0 112.617 -170.632 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1911 ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 -72.73 -32.03 65.39 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 112.783 0.661 . . . . 0.0 112.783 -171.502 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1912 ' ' ILE . . . . . 0.528 ' O ' HG13 ' A' 1916 ' ' ILE . 48.6 mt -54.15 -53.99 24.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 C-N-CA 120.741 -0.384 . . . . 0.0 110.513 -179.535 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1913 ' ' GLY . . . . . . . . . . . . . . . -69.79 -27.17 73.54 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.433 -179.283 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1914 ' ' ALA . . . . . . . . . . . . . . . -73.31 -47.52 41.99 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.56 0.219 . . . . 0.0 110.738 -179.038 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1915 ' ' HIS . . . . . 0.453 ' O ' ' HG2' ' A' 1919 ' ' ARG . 71.4 m-70 -59.11 -41.96 89.39 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.122 -177.668 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1916 ' ' ILE . . . . . 0.528 HG13 ' O ' ' A' 1912 ' ' ILE . 81.4 mt -53.93 -59.25 2.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.398 -178.683 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1917 ' ' LYS . . . . . 0.489 ' HA ' HG22 ' A' 1920 ' ' VAL . 8.8 mtmp? -67.88 -27.98 67.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.139 -177.179 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1918 ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -67.18 -39.79 86.46 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.084 177.337 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1919 ' ' ARG . . . . . 0.5 ' CD ' ' HB3' ' A' 1963 ' ' HIS . 29.9 mmt180 -81.53 -34.25 31.31 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 112.095 0.406 . . . . 0.0 112.095 -175.281 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1920 ' ' VAL . . . . . 0.489 HG22 ' HA ' ' A' 1917 ' ' LYS . 33.2 m -68.61 -24.35 29.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 C-N-CA 120.385 -0.526 . . . . 0.0 110.111 176.829 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1921 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.59 -41.0 98.38 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 115.971 -0.558 . . . . 0.0 109.536 175.059 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1922 ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -61.83 -46.36 89.83 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.392 177.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1923 ' ' LEU . . . . . 0.452 HD11 ' HA ' ' A' 1961 ' ' VAL . 19.9 mt -67.72 -23.31 65.25 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.109 178.765 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1924 ' ' GLY . . . . . . . . . . . . . . . -60.48 -51.89 55.96 Favored Glycine 0 N--CA 1.449 -0.45 0 C-N-CA 120.737 -0.744 . . . . 0.0 111.581 175.045 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1925 ' ' HIS . . . . . . . . . . . . . 81.2 m-70 -72.63 -28.08 62.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.751 0.31 . . . . 0.0 110.736 178.062 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1926 ' ' GLY . . . . . . . . . . . . . . . -70.68 -46.12 48.71 Favored Glycine 0 N--CA 1.449 -0.456 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.27 178.754 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1927 ' ' CYS . . . . . 0.506 ' SG ' HD22 ' A' 1889 ' ' LEU . 43.7 t -62.1 -50.21 72.85 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.602 0.239 . . . . 0.0 110.421 178.853 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1928 ' ' SER . . . . . 0.426 ' HA ' HG22 ' A' 1931 ' ' VAL . 10.8 p -61.19 -38.61 87.15 Favored 'General case' 0 N--CA 1.452 -0.338 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.081 -178.529 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1929 ' ' ALA . . . . . . . . . . . . . . . -61.59 -49.93 74.64 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.786 0.327 . . . . 0.0 110.623 176.745 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1930 ' ' LEU . . . . . 0.458 HD23 ' HA ' ' A' 1930 ' ' LEU . 10.8 mt -62.53 -49.5 75.08 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.976 -178.74 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1931 ' ' VAL . . . . . 0.426 HG22 ' HA ' ' A' 1928 ' ' SER . 22.8 m -64.76 -31.89 55.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 C-N-CA 120.911 -0.316 . . . . 0.0 111.273 -175.621 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1932 ' ' THR . . . . . . . . . . . . . 63.8 m -71.53 -44.99 63.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.495 -0.321 . . . . 0.0 110.471 177.842 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1933 ' ' LYS . . . . . 0.425 ' HD3' ' HA ' ' A' 1933 ' ' LYS . 70.9 mmtt -71.13 -35.37 71.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.212 -179.774 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1934 ' ' ALA . . . . . . . . . . . . . . . -62.83 -47.85 81.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.858 0.361 . . . . 0.0 110.255 176.338 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1935 ' ' GLY . . . . . . . . . . . . . . . -64.4 -37.61 94.7 Favored Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 120.79 -0.719 . . . . 0.0 111.795 177.071 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1936 ' ' ALA . . . . . . . . . . . . . . . -65.49 -43.76 89.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.646 0.26 . . . . 0.0 110.991 178.312 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1937 ' ' LEU . . . . . 0.405 ' HB2' HG22 ' A' 1946 ' ' THR . 46.8 tp -67.52 -34.67 77.57 Favored 'General case' 0 CA--C 1.513 -0.466 0 CA-C-O 120.882 0.372 . . . . 0.0 110.37 178.73 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1938 ' ' GLN . . . . . 0.412 ' HG3' ' HA ' ' A' 1880 ' ' GLU . 32.2 tt0 -62.05 -31.4 71.81 Favored 'General case' 0 N--CA 1.446 -0.643 0 CA-C-O 121.127 0.489 . . . . 0.0 110.231 179.219 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1939 ' ' CYS . . . . . . . . . . . . . 55.7 m -85.91 -16.98 36.78 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.016 179.378 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1940 ' ' SER . . . . . . . . . . . . . 60.1 m -150.92 78.97 7.17 Favored Pre-proline 0 C--N 1.326 -0.447 0 CA-C-O 120.918 0.39 . . . . 0.0 111.352 -177.845 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1941 ' ' PRO . . . . . . . . . . . . . 11.6 Cg_exo -74.09 -10.65 22.92 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 123.225 2.617 . . . . 0.0 112.033 -179.413 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1942 ' ' SER . . . . . . . . . . . . . 40.9 t -74.82 -23.76 58.52 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.09 178.139 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1943 ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -79.89 110.59 15.4 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.814 -178.929 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1944 ' ' VAL . . . . . 0.64 ' O ' ' HG3' ' A' 1948 ' ' LYS . 10.4 p -72.62 -32.21 40.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 N-CA-C 109.072 -0.714 . . . . 0.0 109.072 176.644 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1945 ' ' TYR . . . . . 0.495 ' O ' ' HG3' ' A' 1949 ' ' GLU . 49.5 m-85 -58.81 -51.29 70.62 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.307 -0.861 . . . . 0.0 110.101 179.741 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1946 ' ' THR . . . . . 0.405 HG22 ' HB2' ' A' 1937 ' ' LEU . 78.2 m -60.86 -42.15 97.3 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.352 -0.84 . . . . 0.0 111.089 178.595 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1947 ' ' LYS . . . . . . . . . . . . . 36.3 ttpt -63.08 -51.49 66.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.967 -178.923 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1948 ' ' LYS . . . . . 0.64 ' HG3' ' O ' ' A' 1944 ' ' VAL . 7.4 mtpm? -61.49 -35.92 79.02 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.992 -174.416 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1949 ' ' GLU . . . . . 0.495 ' HG3' ' O ' ' A' 1945 ' ' TYR . 41.5 mt-10 -58.19 -30.03 66.12 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.014 0.435 . . . . 0.0 110.663 178.094 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1950 ' ' LEU . . . . . . . . . . . . . 8.2 tt -70.18 -47.64 60.65 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.974 -0.557 . . . . 0.0 109.512 177.184 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1951 ' ' ILE . . . . . 0.55 ' HA ' HG12 ' A' 1872 ' ' VAL . 3.1 mp -61.0 -50.19 81.63 Favored 'Isoleucine or valine' 0 C--O 1.235 0.327 0 CA-C-O 121.073 0.463 . . . . 0.0 110.418 177.525 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1952 ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -65.08 -23.6 67.21 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.415 -0.811 . . . . 0.0 111.557 -175.855 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1953 ' ' CYS . . . . . . . . . . . . . 47.4 t -86.97 -43.95 11.98 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.557 0.217 . . . . 0.0 111.199 179.669 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1954 ' ' ALA . . . . . 0.494 ' HA ' HG22 ' A' 1957 ' ' VAL . . . -63.11 -40.1 96.64 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 112.266 0.469 . . . . 0.0 112.266 -174.485 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1955 ' ' ARG . . . . . . . . . . . . . 6.9 ppt_? -65.89 -22.98 66.55 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 120.709 -0.396 . . . . 0.0 110.967 178.536 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1956 ' ' ARG . . . . . . . . . . . . . 78.9 mtp180 -81.07 -44.42 18.03 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.22 176.684 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1957 ' ' VAL . . . . . 0.553 ' O ' HG13 ' A' 1961 ' ' VAL . 14.1 m -67.48 -22.61 28.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 C-N-CA 120.994 -0.282 . . . . 0.0 111.168 -177.152 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1958 ' ' SER . . . . . 0.639 ' O ' HG22 ' A' 1961 ' ' VAL . 30.3 t -61.88 -23.99 66.65 Favored 'General case' 0 CA--C 1.534 0.34 0 CA-C-O 121.057 0.456 . . . . 0.0 110.065 175.896 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1959 ' ' GLU . . . . . . . . . . . . . 35.0 mm-40 -80.57 -35.48 34.22 Favored 'General case' 0 C--N 1.327 -0.406 0 O-C-N 122.014 -0.429 . . . . 0.0 110.839 173.882 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1960 ' ' LYS . . . . . . . . . . . . . 93.4 mttt -64.72 -34.17 77.69 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.307 179.846 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1961 ' ' VAL . . . . . 0.868 HG21 ' HB2' ' A' 1865 ' ' ALA . 3.8 m -69.03 -32.85 55.99 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-O 121.076 0.465 . . . . 0.0 109.979 175.726 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1962 ' ' SER . . . . . 0.543 ' HA ' HD12 ' A' 1965 ' ' LEU . 32.7 t -71.56 -26.32 62.58 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-N 115.739 -0.664 . . . . 0.0 109.585 178.433 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1963 ' ' HIS . . . . . 0.5 ' HB3' ' CD ' ' A' 1919 ' ' ARG . 66.8 m170 -69.55 -34.51 74.31 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.711 -0.677 . . . . 0.0 109.992 177.611 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1964 ' ' VAL . . . . . 0.561 HG11 HD11 ' A' 1896 ' ' LEU . 96.3 t -63.37 -44.43 98.99 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.198 0 N-CA-C 109.444 -0.576 . . . . 0.0 109.444 172.827 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1965 ' ' LEU . . . . . 0.543 HD12 ' HA ' ' A' 1962 ' ' SER . 61.0 mt -55.59 -47.7 76.06 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.467 -0.788 . . . . 0.0 110.727 179.596 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1966 ' ' ALA . . . . . . . . . . . . . . . -68.55 -44.77 73.8 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.575 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1967 ' ' ALA . . . . . . . . . . . . . . . -57.74 -47.46 82.38 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.679 -178.214 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1968 ' ' LEU . . . . . 0.864 ' HB3' ' HG3' ' A' 1854 ' ' GLN . 4.4 mm? -72.08 -37.82 69.52 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.441 -177.831 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1969 ' ' GLN . . . . . . . . . . . . . 48.1 mt-30 . . . . . 0 C--N 1.326 -0.44 0 CA-C-O 120.849 0.357 . . . . 0.0 111.166 -178.91 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A 1850 ' ' PHE . . . . . 0.408 ' HA ' ' HD2' ' A' 1853 ' ' TYR . 75.3 t80 . . . . . 0 C--O 1.232 0.149 0 CA-C-O 121.05 0.452 . . . . 0.0 110.444 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1851 ' ' VAL . . . . . . . . . . . . . 26.8 m -59.46 -23.97 26.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.931 -179.154 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1852 ' ' ASP . . . . . . . . . . . . . 33.9 t70 -71.97 -49.77 34.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.768 0.318 . . . . 0.0 110.157 179.224 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1853 ' ' TYR . . . . . 0.614 ' O ' ' HG2' ' A' 1857 ' ' MET . 39.8 m-85 -61.39 -42.81 99.32 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 109.198 -0.667 . . . . 0.0 109.198 176.178 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1854 ' ' GLN . . . . . 0.806 ' HG3' ' HB3' ' A' 1968 ' ' LEU . 27.4 tt0 -48.84 -60.05 3.07 Favored 'General case' 0 CA--C 1.521 -0.146 0 CA-C-N 115.239 -0.892 . . . . 0.0 110.388 174.879 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1855 ' ' THR . . . . . 0.605 ' O ' ' HG2' ' A' 1859 ' ' ARG . 34.8 m -54.69 -37.77 66.19 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.281 -178.501 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1856 ' ' THR . . . . . 0.474 HG22 ' N ' ' A' 1857 ' ' MET . 1.0 OUTLIER -68.01 -57.77 5.6 Favored 'General case' 0 N--CA 1.445 -0.681 0 N-CA-C 112.239 0.459 . . . . 0.0 112.239 -177.576 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A 1857 ' ' MET . . . . . 0.614 ' HG2' ' O ' ' A' 1853 ' ' TYR . 9.6 ptm -78.88 -18.18 54.36 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 111.966 0.358 . . . . 0.0 111.966 -170.648 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1858 ' ' VAL . . . . . 0.414 HG22 ' O ' ' A' 1854 ' ' GLN . 33.6 m -71.73 -33.82 49.87 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.174 0 C-N-CA 119.628 -0.829 . . . . 0.0 109.504 171.257 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1859 ' ' ARG . . . . . 0.605 ' HG2' ' O ' ' A' 1855 ' ' THR . 9.7 mmm180 -65.77 -39.65 91.25 Favored 'General case' 0 CA--C 1.52 -0.189 0 N-CA-C 109.396 -0.594 . . . . 0.0 109.396 173.663 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1860 ' ' THR . . . . . 0.417 HG23 ' HD3' ' A' 1895 ' ' ARG . 6.6 m -61.51 -46.14 91.24 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.503 176.552 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1861 ' ' ALA . . . . . . . . . . . . . . . -59.25 -45.19 91.86 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.842 178.019 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1862 ' ' LYS . . . . . . . . . . . . . 53.9 mttm -62.27 -39.09 91.76 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.527 177.374 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1863 ' ' ALA . . . . . . . . . . . . . . . -65.32 -44.54 87.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.531 178.725 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1864 ' ' ILE . . . . . . . . . . . . . 75.0 mt -61.29 -43.14 95.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 116.228 -0.442 . . . . 0.0 109.949 175.189 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1865 ' ' ALA . . . . . 0.915 ' HB2' HG21 ' A' 1961 ' ' VAL . . . -58.65 -50.07 75.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.655 179.494 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1866 ' ' VAL . . . . . 0.573 ' O ' ' HG3' ' A' 1870 ' ' GLU . 13.3 p -67.89 -32.54 56.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 C-N-CA 120.572 -0.451 . . . . 0.0 110.448 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1867 ' ' THR . . . . . 0.666 ' O ' ' HG3' ' A' 1871 ' ' MET . 91.9 m -65.51 -53.17 46.26 Favored 'General case' 0 N--CA 1.452 -0.328 0 C-N-CA 120.957 -0.297 . . . . 0.0 110.384 177.506 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1868 ' ' VAL . . . . . 0.555 ' HA ' ' SD ' ' A' 1871 ' ' MET . 30.5 m -63.07 -33.85 63.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.785 -177.475 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1869 ' ' GLN . . . . . 0.555 ' O ' HG22 ' A' 1872 ' ' VAL . 2.4 pt20 -76.58 -24.75 53.51 Favored 'General case' 0 N--CA 1.451 -0.401 0 C-N-CA 120.752 -0.379 . . . . 0.0 110.303 179.713 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1870 ' ' GLU . . . . . 0.573 ' HG3' ' O ' ' A' 1866 ' ' VAL . 30.6 mt-10 -70.4 -38.2 74.62 Favored 'General case' 0 CA--C 1.516 -0.347 0 N-CA-C 109.713 -0.477 . . . . 0.0 109.713 172.042 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1871 ' ' MET . . . . . 0.666 ' HG3' ' O ' ' A' 1867 ' ' THR . 39.3 mtp -58.68 -39.76 81.61 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.841 -179.165 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1872 ' ' VAL . . . . . 1.079 ' HB ' HG13 ' A' 1951 ' ' ILE . 1.9 m -73.57 -29.19 26.38 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.301 0 CA-C-O 121.387 0.613 . . . . 0.0 110.642 179.621 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1873 ' ' THR . . . . . . . . . . . . . 54.2 m -80.21 -45.3 18.26 Favored 'General case' 0 C--N 1.315 -0.933 0 CA-C-N 115.194 -0.912 . . . . 0.0 111.097 -177.283 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1874 ' ' LYS . . . . . 0.408 ' HG3' HD11 ' A' 1885 ' ' LEU . 72.3 mmtt -64.68 -40.75 95.93 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.961 -179.005 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1875 ' ' SER . . . . . 0.491 ' HB3' HD11 ' A' 1882 ' ' LEU . 5.5 p -58.64 -16.03 14.32 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 112.861 0.689 . . . . 0.0 112.861 -173.562 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1876 ' ' ASN . . . . . . . . . . . . . 90.7 m-20 -77.66 -16.07 58.76 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 111.488 0.181 . . . . 0.0 111.488 -179.735 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1877 ' ' THR . . . . . . . . . . . . . 13.6 p -141.91 -46.86 0.36 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.299 0.571 . . . . 0.0 111.381 -179.474 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1878 ' ' SER . . . . . . . . . . . . . 73.5 m -110.19 101.55 48.2 Favored Pre-proline 0 C--N 1.321 -0.643 0 CA-C-N 115.466 -0.788 . . . . 0.0 111.442 -176.038 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1879 ' ' PRO . . . . . 0.945 ' HA ' HD12 ' A' 1882 ' ' LEU . 43.3 Cg_endo -88.19 -12.49 4.01 Favored 'Trans proline' 0 N--CA 1.443 -1.473 0 C-N-CA 121.47 1.446 . . . . 0.0 111.37 173.879 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1880 ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -75.69 -39.03 58.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.171 179.224 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1881 ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -67.98 -12.68 61.22 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.299 0.571 . . . . 0.0 110.808 -178.777 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1882 ' ' LEU . . . . . 0.945 HD12 ' HA ' ' A' 1879 ' ' PRO . 0.5 OUTLIER -72.72 -15.84 61.67 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.366 -0.834 . . . . 0.0 112.056 -177.941 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A 1883 ' ' GLY . . . . . . . . . . . . . . . -66.3 -60.83 5.94 Favored Glycine 0 CA--C 1.519 0.29 0 C-N-CA 120.684 -0.77 . . . . 0.0 111.944 177.357 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1884 ' ' PRO . . . . . . . . . . . . . 47.1 Cg_exo -56.8 -36.03 98.4 Favored 'Trans proline' 0 C--N 1.349 0.578 0 C-N-CA 122.599 2.199 . . . . 0.0 112.315 175.718 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1885 ' ' LEU . . . . . 0.408 HD11 ' HG3' ' A' 1874 ' ' LYS . 41.9 mt -64.03 -43.03 96.82 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.597 0.237 . . . . 0.0 111.43 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1886 ' ' ALA . . . . . . . . . . . . . . . -61.55 -45.27 94.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.939 0.4 . . . . 0.0 110.419 177.962 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1887 ' ' ASN . . . . . . . . . . . . . 34.1 t-20 -63.72 -38.28 90.54 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.985 -0.552 . . . . 0.0 109.814 177.464 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1888 ' ' GLN . . . . . . . . . . . . . 36.0 tp60 -61.31 -49.62 76.29 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.74 -179.721 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1889 ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -57.23 -47.3 81.67 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.399 0.619 . . . . 0.0 109.365 176.801 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1890 ' ' THR . . . . . . . . . . . . . 55.1 m -58.42 -43.94 88.88 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.054 -0.975 . . . . 0.0 111.541 -178.923 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1891 ' ' SER . . . . . . . . . . . . . 9.1 t -69.79 -40.41 76.03 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.357 -175.954 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1892 ' ' ASP . . . . . 0.458 ' O ' ' HB3' ' A' 1895 ' ' ARG . 0.5 OUTLIER -79.98 -24.84 40.64 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 112.404 0.52 . . . . 0.0 112.404 -176.699 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A 1893 ' ' TYR . . . . . . . . . . . . . 30.2 t80 -61.2 -44.3 97.51 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 119.938 -0.705 . . . . 0.0 110.224 174.561 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1894 ' ' GLY . . . . . . . . . . . . . . . -59.29 -37.88 92.51 Favored Glycine 0 C--N 1.332 0.353 0 C-N-CA 120.677 -0.773 . . . . 0.0 111.474 177.261 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1895 ' ' ARG . . . . . 0.458 ' HB3' ' O ' ' A' 1892 ' ' ASP . 62.6 ttt180 -58.9 -52.92 63.66 Favored 'General case' 0 C--N 1.325 -0.494 0 C-N-CA 122.886 0.475 . . . . 0.0 110.438 174.954 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1896 ' ' LEU . . . . . 0.486 HD21 HG21 ' A' 1964 ' ' VAL . 62.1 tp -61.1 -47.54 85.82 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.646 -0.706 . . . . 0.0 111.384 -179.465 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1897 ' ' ALA . . . . . . . . . . . . . . . -64.38 -24.61 67.7 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.872 -176.741 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1898 ' ' SER . . . . . . . . . . . . . 71.2 m -81.93 -27.64 33.21 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.753 0.311 . . . . 0.0 110.655 -177.877 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1899 ' ' GLN . . . . . 0.413 ' HG2' ' O ' ' A' 1895 ' ' ARG . 82.2 mm-40 -79.72 -14.21 58.9 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.329 -179.899 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1900 ' ' ALA . . . . . . . . . . . . . . . -68.23 -27.09 66.06 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.668 -0.697 . . . . 0.0 111.089 179.59 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1901 ' ' LYS . . . . . 0.489 ' HB3' ' HD3' ' A' 1902 ' ' PRO . 78.6 tttt -74.31 -58.58 1.87 Allowed Pre-proline 0 CA--C 1.538 0.516 0 C-N-CA 120.918 -0.313 . . . . 0.0 111.762 -177.697 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1902 ' ' PRO . . . . . 0.489 ' HD3' ' HB3' ' A' 1901 ' ' LYS . 37.9 Cg_endo -66.65 -22.6 50.33 Favored 'Trans proline' 0 C--N 1.357 1.019 0 C-N-CA 121.993 1.795 . . . . 0.0 112.27 -178.2 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1903 ' ' ALA . . . . . . . . . . . . . . . -75.15 -36.61 61.55 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.707 177.698 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1904 ' ' ALA . . . . . . . . . . . . . . . -69.06 -35.05 76.12 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.071 0.462 . . . . 0.0 110.578 -176.007 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1905 ' ' VAL . . . . . . . . . . . . . 31.0 m -85.14 -22.98 7.36 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-N 115.715 -0.675 . . . . 0.0 111.511 -178.495 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1906 ' ' ALA . . . . . . . . . . . . . . . -92.54 -4.96 52.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.88 0.371 . . . . 0.0 111.106 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1907 ' ' ALA . . . . . 0.438 ' HB1' ' HB ' ' A' 1912 ' ' ILE . . . -67.71 144.58 55.39 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.692 178.944 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1908 ' ' GLU . . . . . . . . . . . . . 16.7 mp0 -77.74 -24.38 49.07 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.575 -178.623 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1909 ' ' ASN . . . . . . . . . . . . . 63.6 m-20 -129.32 157.27 42.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.934 -0.575 . . . . 0.0 111.046 -178.278 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1910 ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -56.36 -54.13 49.13 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.715 -0.675 . . . . 0.0 111.356 178.613 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1911 ' ' GLU . . . . . . . . . . . . . 30.5 mt-10 -60.28 -39.24 86.2 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.718 -0.674 . . . . 0.0 111.843 -172.683 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1912 ' ' ILE . . . . . 0.502 ' O ' HG13 ' A' 1916 ' ' ILE . 63.4 mt -54.53 -53.2 33.21 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 O-C-N 123.267 0.354 . . . . 0.0 110.282 -179.071 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1913 ' ' GLY . . . . . . . . . . . . . . . -74.01 -31.49 59.79 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.812 -0.709 . . . . 0.0 112.432 -179.34 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1914 ' ' ALA . . . . . . . . . . . . . . . -68.81 -49.25 60.12 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.762 0.315 . . . . 0.0 110.382 -178.898 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1915 ' ' HIS . . . . . 0.652 ' O ' ' HG2' ' A' 1919 ' ' ARG . 66.2 m-70 -55.17 -42.78 73.59 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.574 -179.051 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1916 ' ' ILE . . . . . 0.502 HG13 ' O ' ' A' 1912 ' ' ILE . 96.1 mt -52.25 -53.11 20.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 115.729 -0.669 . . . . 0.0 111.109 178.061 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1917 ' ' LYS . . . . . . . . . . . . . 52.2 mtmt -67.72 -28.3 67.54 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.785 -0.643 . . . . 0.0 111.715 -175.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1918 ' ' HIS . . . . . . . . . . . . . 65.3 m80 -74.08 -36.86 64.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.911 0.386 . . . . 0.0 110.518 176.841 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1919 ' ' ARG . . . . . 0.652 ' HG2' ' O ' ' A' 1915 ' ' HIS . 25.1 mmt180 -73.06 -40.79 64.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.688 -176.037 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1920 ' ' VAL . . . . . . . . . . . . . 27.6 m -68.06 -24.23 29.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 121.204 0.526 . . . . 0.0 110.21 177.23 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1921 ' ' GLN . . . . . . . . . . . . . 48.5 tp60 -70.24 -33.72 71.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.787 -0.642 . . . . 0.0 109.968 177.868 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1922 ' ' GLU . . . . . 0.427 ' HB3' ' HG2' ' A' 1960 ' ' LYS . 39.4 mt-10 -62.22 -46.01 90.8 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 121.203 0.525 . . . . 0.0 110.237 176.098 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1923 ' ' LEU . . . . . 0.574 ' HG ' ' HB3' ' A' 1960 ' ' LYS . 25.2 mt -65.93 -23.23 66.58 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.54 -0.755 . . . . 0.0 111.905 -177.903 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1924 ' ' GLY . . . . . . . . . . . . . . . -53.97 -52.91 39.99 Favored Glycine 0 C--O 1.23 -0.15 0 C-N-CA 120.89 -0.672 . . . . 0.0 112.673 -179.284 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1925 ' ' HIS . . . . . . . . . . . . . 31.1 m80 -79.41 -21.09 46.08 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.816 0.341 . . . . 0.0 110.891 -178.693 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1926 ' ' GLY . . . . . . . . . . . . . . . -76.62 -44.11 16.86 Favored Glycine 0 N--CA 1.449 -0.444 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.513 -178.474 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1927 ' ' CYS . . . . . . . . . . . . . 60.2 m -65.48 -43.74 89.29 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.644 0.259 . . . . 0.0 110.611 -179.268 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1928 ' ' SER . . . . . . . . . . . . . 21.0 p -62.94 -39.39 94.47 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.13 -178.045 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1929 ' ' ALA . . . . . . . . . . . . . . . -67.93 -41.81 82.01 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.817 178.46 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1930 ' ' LEU . . . . . 0.516 ' HG ' ' HB3' ' A' 1953 ' ' CYS . 0.4 OUTLIER -66.0 -50.86 62.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.898 -177.389 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A 1931 ' ' VAL . . . . . . . . . . . . . 33.0 m -62.34 -27.97 43.71 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.17 0 CA-C-O 120.792 0.33 . . . . 0.0 111.136 -176.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1932 ' ' THR . . . . . . . . . . . . . 89.5 m -66.43 -46.59 75.98 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.376 175.424 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1933 ' ' LYS . . . . . . . . . . . . . 32.9 mmtp -72.04 -31.33 66.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.979 -178.555 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1934 ' ' ALA . . . . . . . . . . . . . . . -59.15 -50.2 74.96 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.97 0.414 . . . . 0.0 110.194 174.914 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1935 ' ' GLY . . . . . . . . . . . . . . . -67.82 -39.36 89.83 Favored Glycine 0 N--CA 1.448 -0.522 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.145 177.655 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1936 ' ' ALA . . . . . . . . . . . . . . . -61.07 -46.75 89.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.559 0.218 . . . . 0.0 111.186 179.569 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1937 ' ' LEU . . . . . 0.431 ' HB2' HG22 ' A' 1946 ' ' THR . 25.2 tp -67.12 -35.13 79.08 Favored 'General case' 0 CA--C 1.511 -0.537 0 CA-C-O 120.918 0.389 . . . . 0.0 110.412 178.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1938 ' ' GLN . . . . . 0.428 ' HG3' ' O ' ' A' 1879 ' ' PRO . 35.4 tt0 -62.19 -31.53 72.06 Favored 'General case' 0 N--CA 1.444 -0.732 0 CA-C-O 121.285 0.564 . . . . 0.0 110.022 179.54 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1939 ' ' CYS . . . . . . . . . . . . . 56.2 m -86.35 -17.45 34.46 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.007 178.297 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1940 ' ' SER . . . . . . . . . . . . . 6.4 m -136.01 72.81 60.31 Favored Pre-proline 0 C--N 1.326 -0.415 0 CA-C-N 116.589 -0.278 . . . . 0.0 110.808 -177.165 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1941 ' ' PRO . . . . . . . . . . . . . 11.8 Cg_exo -72.32 -14.13 28.19 Favored 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.836 2.357 . . . . 0.0 112.425 -176.205 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1942 ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -90.4 -1.42 57.91 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.431 -179.706 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1943 ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -104.63 106.38 16.85 Favored 'General case' 0 CA--C 1.516 -0.347 0 CA-C-O 121.075 0.464 . . . . 0.0 111.349 179.759 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1944 ' ' VAL . . . . . 0.431 ' O ' ' HG2' ' A' 1948 ' ' LYS . 9.4 p -69.25 -25.21 28.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.028 177.553 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1945 ' ' TYR . . . . . . . . . . . . . 84.9 m-85 -55.21 -46.9 75.92 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.344 -0.844 . . . . 0.0 110.846 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1946 ' ' THR . . . . . 0.431 HG22 ' HB2' ' A' 1937 ' ' LEU . 32.8 m -68.56 -38.37 80.7 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.693 179.56 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1947 ' ' LYS . . . . . . . . . . . . . 13.6 ttpp -63.14 -43.31 98.7 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.56 -178.481 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1948 ' ' LYS . . . . . 0.431 ' HG2' ' O ' ' A' 1944 ' ' VAL . 7.5 mmpt? -53.13 -51.66 61.22 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 121.11 0.481 . . . . 0.0 110.532 -179.843 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1949 ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 -64.94 -28.96 69.88 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.289 -0.869 . . . . 0.0 111.537 -175.864 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1950 ' ' LEU . . . . . 0.483 HD11 HD22 ' A' 1882 ' ' LEU . 6.2 tt -64.45 -52.12 59.65 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.533 -0.543 . . . . 0.0 109.533 178.363 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1951 ' ' ILE . . . . . 1.079 HG13 ' HB ' ' A' 1872 ' ' VAL . 2.0 mp -62.81 -44.45 99.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 115.976 -0.556 . . . . 0.0 109.996 177.122 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1952 ' ' GLU . . . . . . . . . . . . . 24.2 mm-40 -56.2 -38.0 70.4 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.762 -0.654 . . . . 0.0 112.042 179.718 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1953 ' ' CYS . . . . . 0.516 ' HB3' ' HG ' ' A' 1930 ' ' LEU . 9.1 t -75.89 -38.92 57.33 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 120.646 0.26 . . . . 0.0 110.819 -177.626 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1954 ' ' ALA . . . . . 0.57 ' HA ' HG22 ' A' 1957 ' ' VAL . . . -66.5 -44.12 83.48 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 111.805 0.298 . . . . 0.0 111.805 -176.88 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1955 ' ' ARG . . . . . 0.45 ' HG2' ' O ' ' A' 1951 ' ' ILE . 3.7 ptp180 -62.82 -24.41 67.75 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.114 0.483 . . . . 0.0 110.733 178.616 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1956 ' ' ARG . . . . . . . . . . . . . 65.2 mtp180 -80.22 -48.46 13.07 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.877 176.954 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1957 ' ' VAL . . . . . 0.57 HG22 ' HA ' ' A' 1954 ' ' ALA . 20.6 m -67.26 -29.05 44.56 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 C-N-CA 121.038 -0.265 . . . . 0.0 111.551 -176.94 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1958 ' ' SER . . . . . 0.702 ' O ' HG22 ' A' 1961 ' ' VAL . 20.4 t -64.84 -23.97 67.4 Favored 'General case' 0 CA--C 1.532 0.282 0 CA-C-O 121.039 0.447 . . . . 0.0 110.258 178.74 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1959 ' ' GLU . . . . . . . . . . . . . 78.5 mm-40 -71.26 -39.34 71.65 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 121.739 -0.6 . . . . 0.0 109.997 173.096 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1960 ' ' LYS . . . . . 0.574 ' HB3' ' HG ' ' A' 1923 ' ' LEU . 2.9 mptp? -66.78 -35.53 80.28 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.551 179.614 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1961 ' ' VAL . . . . . 0.915 HG21 ' HB2' ' A' 1865 ' ' ALA . 2.4 m -67.03 -32.79 59.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 N-CA-C 109.365 -0.605 . . . . 0.0 109.365 175.938 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1962 ' ' SER . . . . . 0.552 ' HA ' HD12 ' A' 1965 ' ' LEU . 42.8 m -71.87 -26.57 62.4 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-N 115.598 -0.728 . . . . 0.0 109.927 176.188 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1963 ' ' HIS . . . . . 0.531 ' HB3' ' CD ' ' A' 1919 ' ' ARG . 65.9 m170 -70.55 -32.5 69.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.006 176.268 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1964 ' ' VAL . . . . . 0.486 HG21 HD21 ' A' 1896 ' ' LEU . 95.5 t -65.21 -43.75 95.36 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.144 0 N-CA-C 108.946 -0.761 . . . . 0.0 108.946 173.521 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1965 ' ' LEU . . . . . 0.552 HD12 ' HA ' ' A' 1962 ' ' SER . 65.8 mt -59.45 -33.79 71.72 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.239 -0.892 . . . . 0.0 110.809 177.672 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1966 ' ' ALA . . . . . . . . . . . . . . . -76.81 -48.02 19.77 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.345 179.585 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1967 ' ' ALA . . . . . . . . . . . . . . . -60.99 -46.34 91.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.917 -177.15 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1968 ' ' LEU . . . . . 0.806 ' HB3' ' HG3' ' A' 1854 ' ' GLN . 4.2 mm? -67.43 -32.14 72.8 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.764 0.316 . . . . 0.0 111.535 -177.93 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1969 ' ' GLN . . . . . . . . . . . . . 48.6 mt-30 . . . . . 0 C--N 1.324 -0.534 0 CA-C-O 120.989 0.424 . . . . 0.0 110.905 -178.227 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A 1850 ' ' PHE . . . . . . . . . . . . . 77.5 t80 . . . . . 0 C--O 1.232 0.175 0 CA-C-O 121.145 0.498 . . . . 0.0 110.374 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A 1851 ' ' VAL . . . . . . . . . . . . . 13.4 m -57.0 -33.76 43.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 115.414 -0.812 . . . . 0.0 111.636 -178.438 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1852 ' ' ASP . . . . . . . . . . . . . 31.0 t70 -73.12 -48.89 31.79 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.708 -178.114 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1853 ' ' TYR . . . . . 0.442 ' CE1' ' HB2' ' A' 1902 ' ' PRO . 50.5 m-85 -63.8 -41.57 97.89 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.079 -179.79 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1854 ' ' GLN . . . . . 0.847 ' HG3' ' HB3' ' A' 1968 ' ' LEU . 32.5 tt0 -55.24 -57.57 11.24 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.322 176.348 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1855 ' ' THR . . . . . 0.623 ' O ' ' HG2' ' A' 1859 ' ' ARG . 46.1 m -58.63 -30.07 66.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.342 -178.81 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1856 ' ' THR . . . . . 0.466 HG21 ' NE2' ' A' 1899 ' ' GLN . 1.2 m -69.26 -58.61 3.82 Favored 'General case' 0 N--CA 1.442 -0.833 0 N-CA-C 112.201 0.445 . . . . 0.0 112.201 -178.78 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1857 ' ' MET . . . . . 0.73 ' HG3' HD21 ' A' 1968 ' ' LEU . 5.5 ptm -79.31 -17.04 55.37 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 112.115 0.413 . . . . 0.0 112.115 -169.04 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1858 ' ' VAL . . . . . 0.536 ' O ' ' HG3' ' A' 1862 ' ' LYS . 35.6 m -66.22 -33.63 64.8 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.164 0 C-N-CA 119.991 -0.684 . . . . 0.0 109.915 172.377 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1859 ' ' ARG . . . . . 0.623 ' HG2' ' O ' ' A' 1855 ' ' THR . 17.3 mmt180 -68.98 -42.02 77.11 Favored 'General case' 0 CA--C 1.518 -0.286 0 N-CA-C 109.087 -0.709 . . . . 0.0 109.087 178.343 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1860 ' ' THR . . . . . 0.449 HG21 ' HB2' ' A' 1896 ' ' LEU . 28.4 m -59.61 -44.4 93.43 Favored 'General case' 0 N--CA 1.448 -0.549 0 CA-C-N 115.078 -0.964 . . . . 0.0 110.993 177.516 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1861 ' ' ALA . . . . . 0.451 ' HB1' ' HB ' ' A' 1961 ' ' VAL . . . -57.74 -41.79 82.58 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.618 177.383 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1862 ' ' LYS . . . . . 0.536 ' HG3' ' O ' ' A' 1858 ' ' VAL . 56.9 mttm -65.51 -43.41 90.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.593 178.545 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1863 ' ' ALA . . . . . . . . . . . . . . . -64.58 -36.48 84.37 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.891 179.057 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1864 ' ' ILE . . . . . 0.622 ' O ' HG13 ' A' 1868 ' ' VAL . 69.1 mt -66.81 -48.47 79.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 116.512 -0.313 . . . . 0.0 110.323 175.877 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1865 ' ' ALA . . . . . 0.768 ' HB2' HG21 ' A' 1961 ' ' VAL . . . -57.75 -43.94 85.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.205 -0.452 . . . . 0.0 112.162 -177.185 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1866 ' ' VAL . . . . . 0.501 ' O ' ' HG3' ' A' 1870 ' ' GLU . 12.7 p -66.96 -33.96 66.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 C-N-CA 120.84 -0.344 . . . . 0.0 110.524 179.537 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1867 ' ' THR . . . . . 0.648 ' O ' ' HG3' ' A' 1871 ' ' MET . 85.5 m -67.8 -52.43 37.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.372 -0.377 . . . . 0.0 110.9 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1868 ' ' VAL . . . . . 0.622 HG13 ' O ' ' A' 1864 ' ' ILE . 3.2 m -61.05 -29.67 46.16 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.245 0 CA-C-O 121.566 0.698 . . . . 0.0 110.445 -178.194 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1869 ' ' GLN . . . . . . . . . . . . . 57.6 tp60 -74.98 -29.89 61.03 Favored 'General case' 0 N--CA 1.425 -1.698 0 CA-C-N 114.787 -1.097 . . . . 0.0 110.191 -178.845 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1870 ' ' GLU . . . . . 0.501 ' HG3' ' O ' ' A' 1866 ' ' VAL . 48.6 mt-10 -74.35 -42.45 59.36 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.195 -0.457 . . . . 0.0 109.903 172.468 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1871 ' ' MET . . . . . 0.648 ' HG3' ' O ' ' A' 1867 ' ' THR . 59.0 mtp -55.46 -42.71 74.67 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.934 -0.575 . . . . 0.0 111.178 -177.056 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1872 ' ' VAL . . . . . 0.597 HG12 ' HA ' ' A' 1951 ' ' ILE . 28.3 m -74.23 -28.49 23.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-O 120.764 0.316 . . . . 0.0 111.756 178.512 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1873 ' ' THR . . . . . . . . . . . . . 94.6 m -74.07 -42.89 59.48 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.05 0.452 . . . . 0.0 110.638 178.286 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1874 ' ' LYS . . . . . 0.493 ' HG2' ' O ' ' A' 1870 ' ' GLU . 74.3 mmtt -66.14 -50.39 64.12 Favored 'General case' 0 C--O 1.221 -0.422 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.137 -178.578 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1875 ' ' SER . . . . . 0.535 ' HB2' ' HG3' ' A' 1947 ' ' LYS . 4.1 p -53.99 -20.53 6.42 Favored 'General case' 0 N--CA 1.468 0.431 0 N-CA-C 113.444 0.905 . . . . 0.0 113.444 -170.646 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1876 ' ' ASN . . . . . . . . . . . . . 86.1 m-20 -63.27 -31.9 73.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.803 0.335 . . . . 0.0 111.287 178.325 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1877 ' ' THR . . . . . . . . . . . . . 35.2 p -137.05 -37.95 0.64 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.128 0.489 . . . . 0.0 111.877 -176.426 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1878 ' ' SER . . . . . . . . . . . . . 51.4 m -109.13 99.59 36.57 Favored Pre-proline 0 C--N 1.322 -0.611 0 CA-C-N 115.608 -0.724 . . . . 0.0 111.089 -177.114 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1879 ' ' PRO . . . . . 0.833 ' HA ' HD12 ' A' 1882 ' ' LEU . 50.3 Cg_endo -89.16 -12.47 3.29 Favored 'Trans proline' 0 N--CA 1.443 -1.465 0 C-N-CA 121.776 1.651 . . . . 0.0 112.666 178.429 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1880 ' ' GLU . . . . . 0.544 ' HA ' ' HG2' ' A' 1938 ' ' GLN . 41.9 mt-10 -95.28 -23.24 17.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.665 0.269 . . . . 0.0 111.338 -177.009 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1881 ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -67.42 -13.11 61.73 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-O 121.091 0.472 . . . . 0.0 110.716 174.727 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1882 ' ' LEU . . . . . 0.833 HD12 ' HA ' ' A' 1879 ' ' PRO . 1.7 mt -76.93 -16.39 59.38 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.695 -0.684 . . . . 0.0 112.244 -178.184 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1883 ' ' GLY . . . . . . . . . . . . . . . -56.59 -61.31 7.63 Favored Glycine 0 CA--C 1.52 0.369 0 C-N-CA 120.833 -0.698 . . . . 0.0 112.526 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1884 ' ' PRO . . . . . . . . . . . . . 18.9 Cg_endo -60.9 -31.41 91.53 Favored 'Trans proline' 0 C--N 1.344 0.327 0 C-N-CA 122.541 2.161 . . . . 0.0 112.497 176.777 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1885 ' ' LEU . . . . . 0.439 ' HB3' ' HG2' ' A' 1871 ' ' MET . 86.0 mt -66.66 -41.25 88.46 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.615 -0.266 . . . . 0.0 111.217 -178.354 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1886 ' ' ALA . . . . . . . . . . . . . . . -62.8 -45.74 91.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.111 0.482 . . . . 0.0 110.617 178.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1887 ' ' ASN . . . . . . . . . . . . . 44.3 t30 -66.71 -35.06 79.25 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.846 -0.616 . . . . 0.0 110.474 178.265 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1888 ' ' GLN . . . . . . . . . . . . . 19.2 tp60 -64.54 -49.52 70.91 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.56 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1889 ' ' LEU . . . . . 0.515 HD12 ' SD ' ' A' 1871 ' ' MET . 1.3 tt -57.79 -46.82 84.09 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 109.453 -0.573 . . . . 0.0 109.453 177.48 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1890 ' ' THR . . . . . . . . . . . . . 85.8 m -57.57 -44.6 85.41 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.279 -0.873 . . . . 0.0 111.492 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1891 ' ' SER . . . . . . . . . . . . . 53.7 m -61.92 -50.28 72.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.496 -178.169 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1892 ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -64.78 -42.38 95.14 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.595 -0.275 . . . . 0.0 111.417 -178.605 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1893 ' ' TYR . . . . . . . . . . . . . 55.3 t80 -57.41 -34.72 69.2 Favored 'General case' 0 C--O 1.233 0.214 0 C-N-CA 120.674 -0.411 . . . . 0.0 110.884 179.179 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1894 ' ' GLY . . . . . . . . . . . . . . . -54.15 -42.36 72.14 Favored Glycine 0 N--CA 1.449 -0.444 0 C-N-CA 120.932 -0.651 . . . . 0.0 111.86 176.939 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1895 ' ' ARG . . . . . . . . . . . . . 8.0 mpt_? -68.34 -48.84 63.76 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.932 0.396 . . . . 0.0 110.124 178.065 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1896 ' ' LEU . . . . . 0.449 ' HB2' HG21 ' A' 1860 ' ' THR . 58.2 tp -54.3 -50.62 66.9 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.559 -0.746 . . . . 0.0 111.526 -178.728 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1897 ' ' ALA . . . . . . . . . . . . . . . -67.0 -25.73 66.45 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.561 -177.42 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1898 ' ' SER . . . . . . . . . . . . . 62.6 m -81.53 -45.04 16.49 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.811 0.339 . . . . 0.0 110.67 -176.14 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1899 ' ' GLN . . . . . 0.466 ' NE2' HG21 ' A' 1856 ' ' THR . 20.6 mm-40 -68.27 -13.03 61.95 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.924 -178.213 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1900 ' ' ALA . . . . . . . . . . . . . . . -67.62 -27.16 66.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.049 178.029 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1901 ' ' LYS . . . . . 0.72 ' HB3' ' HD3' ' A' 1902 ' ' PRO . 23.0 tptm -70.08 -57.12 6.44 Favored Pre-proline 0 CA--C 1.538 0.503 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.407 -178.827 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1902 ' ' PRO . . . . . 0.72 ' HD3' ' HB3' ' A' 1901 ' ' LYS . 14.6 Cg_exo -68.98 -25.06 32.59 Favored 'Trans proline' 0 C--N 1.357 1.019 0 C-N-CA 122.104 1.869 . . . . 0.0 112.046 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1903 ' ' ALA . . . . . . . . . . . . . . . -70.95 -31.61 68.24 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.429 -0.351 . . . . 0.0 110.824 178.204 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1904 ' ' ALA . . . . . . . . . . . . . . . -75.03 -37.7 61.67 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.932 0.396 . . . . 0.0 110.721 -177.925 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1905 ' ' VAL . . . . . 0.473 HG22 ' HA ' ' A' 1902 ' ' PRO . 33.1 m -81.27 -13.31 12.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.618 -177.17 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1906 ' ' ALA . . . . . . . . . . . . . . . -104.43 3.4 32.16 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.876 0.369 . . . . 0.0 111.081 179.735 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1907 ' ' ALA . . . . . . . . . . . . . . . -89.22 119.52 29.79 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.884 -179.158 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1908 ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -63.06 -29.62 70.96 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.515 179.434 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1909 ' ' ASN . . . . . 0.565 ' HB2' HG13 ' A' 1912 ' ' ILE . 7.8 m-20 -95.18 134.69 37.64 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.838 0.351 . . . . 0.0 110.709 -178.907 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1910 ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -53.65 -49.59 67.6 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.194 -0.912 . . . . 0.0 111.222 179.192 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1911 ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -73.05 -30.94 64.09 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.811 -0.631 . . . . 0.0 112.298 -173.774 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1912 ' ' ILE . . . . . 0.622 ' O ' HG13 ' A' 1916 ' ' ILE . 51.9 mt -55.18 -54.21 26.86 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.33 0 C-N-CA 120.568 -0.453 . . . . 0.0 110.335 -179.603 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1913 ' ' GLY . . . . . . . . . . . . . . . -64.75 -36.38 93.05 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.407 -178.558 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1914 ' ' ALA . . . . . . . . . . . . . . . -69.1 -41.15 77.84 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.622 0.249 . . . . 0.0 110.49 -178.644 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1915 ' ' HIS . . . . . 0.574 ' O ' ' HG2' ' A' 1919 ' ' ARG . 23.1 m80 -63.83 -40.49 96.74 Favored 'General case' 0 CA--C 1.517 -0.299 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.836 -179.71 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1916 ' ' ILE . . . . . 0.622 HG13 ' O ' ' A' 1912 ' ' ILE . 76.5 mt -55.42 -57.0 8.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 121.183 0.516 . . . . 0.0 110.427 178.118 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1917 ' ' LYS . . . . . 0.476 ' HA ' HG22 ' A' 1920 ' ' VAL . 19.8 mtpp -64.0 -29.83 70.96 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.375 -0.83 . . . . 0.0 111.031 -179.106 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1918 ' ' HIS . . . . . . . . . . . . . 39.1 t-80 -68.44 -44.95 73.8 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.19 177.739 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1919 ' ' ARG . . . . . 0.574 ' HG2' ' O ' ' A' 1915 ' ' HIS . 29.3 mmt180 -74.0 -33.21 63.73 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.49 -175.536 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1920 ' ' VAL . . . . . 0.476 HG22 ' HA ' ' A' 1917 ' ' LYS . 33.2 m -72.6 -28.51 28.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 C-N-CA 120.535 -0.466 . . . . 0.0 110.7 177.617 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1921 ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -69.77 -40.24 76.21 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 108.27 -1.011 . . . . 0.0 108.27 172.412 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1922 ' ' GLU . . . . . 0.538 ' HG2' ' HD3' ' A' 1960 ' ' LYS . 35.7 tt0 -66.87 -49.05 66.9 Favored 'General case' 0 N--CA 1.444 -0.742 0 CA-C-N 114.045 -1.434 . . . . 0.0 109.199 -175.325 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1923 ' ' LEU . . . . . 0.489 ' HG ' ' HB2' ' A' 1960 ' ' LYS . 1.1 tt -68.65 -37.8 79.94 Favored 'General case' 0 N--CA 1.444 -0.733 0 CA-C-N 114.554 -1.203 . . . . 0.0 109.559 177.313 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1924 ' ' GLY . . . . . . . . . . . . . . . -55.57 -55.28 29.48 Favored Glycine 0 N--CA 1.452 -0.261 0 CA-C-N 115.809 -0.632 . . . . 0.0 113.706 -177.219 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1925 ' ' HIS . . . . . . . . . . . . . 6.0 p-80 -70.13 -20.17 63.18 Favored 'General case' 0 C--N 1.324 -0.51 0 C-N-CA 120.383 -0.527 . . . . 0.0 110.547 -179.437 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1926 ' ' GLY . . . . . . . . . . . . . . . -77.35 -48.49 8.12 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.897 -0.668 . . . . 0.0 112.288 176.896 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1927 ' ' CYS . . . . . 0.419 ' HB2' HD22 ' A' 1889 ' ' LEU . 28.6 p -70.49 -35.87 73.49 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.719 0.295 . . . . 0.0 110.637 -178.827 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1928 ' ' SER . . . . . . . . . . . . . 24.7 t -62.9 -39.09 93.43 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.114 177.229 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1929 ' ' ALA . . . . . . . . . . . . . . . -69.1 -36.97 78.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.133 0.492 . . . . 0.0 110.159 176.169 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1930 ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -62.51 -53.16 58.81 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.492 -0.776 . . . . 0.0 110.28 179.306 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1931 ' ' VAL . . . . . . . . . . . . . 34.7 m -63.94 -29.5 47.46 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.163 0 N-CA-C 111.728 0.27 . . . . 0.0 111.728 -175.831 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1932 ' ' THR . . . . . . . . . . . . . 73.4 m -62.88 -45.43 92.57 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.076 0.465 . . . . 0.0 110.076 174.917 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1933 ' ' LYS . . . . . . . . . . . . . 32.2 mmtp -75.5 -34.67 60.85 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.537 -179.714 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1934 ' ' ALA . . . . . . . . . . . . . . . -60.41 -46.22 90.79 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.449 -0.342 . . . . 0.0 110.439 176.208 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1935 ' ' GLY . . . . . . . . . . . . . . . -67.92 -36.8 87.2 Favored Glycine 0 N--CA 1.448 -0.509 0 C-N-CA 120.793 -0.718 . . . . 0.0 111.978 177.143 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1936 ' ' ALA . . . . . . . . . . . . . . . -64.32 -47.24 80.17 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.671 0.272 . . . . 0.0 111.239 178.954 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1937 ' ' LEU . . . . . 0.539 ' HB2' HG22 ' A' 1946 ' ' THR . 55.5 tp -69.08 -27.91 66.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.274 0.559 . . . . 0.0 110.267 179.28 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1938 ' ' GLN . . . . . 0.544 ' HG2' ' HA ' ' A' 1880 ' ' GLU . 0.3 OUTLIER -69.92 -34.42 73.45 Favored 'General case' 0 N--CA 1.445 -0.708 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.098 179.803 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A 1939 ' ' CYS . . . . . . . . . . . . . 55.8 m -86.11 -34.75 20.54 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.872 -0.603 . . . . 0.0 110.482 177.545 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1940 ' ' SER . . . . . . . . . . . . . 51.1 m -119.55 85.05 31.39 Favored Pre-proline 0 C--N 1.325 -0.484 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.295 -179.713 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1941 ' ' PRO . . . . . 0.617 ' HB3' ' HG3' ' A' 1879 ' ' PRO . 12.8 Cg_exo -72.71 -13.03 26.99 Favored 'Trans proline' 0 N--CA 1.465 -0.16 0 C-N-CA 122.94 2.427 . . . . 0.0 112.086 179.152 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1942 ' ' SER . . . . . . . . . . . . . 56.8 m -90.89 8.88 32.78 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.989 -0.551 . . . . 0.0 111.209 -179.0 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1943 ' ' ASP . . . . . . . . . . . . . 13.0 t70 -113.1 97.66 6.65 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.918 0.39 . . . . 0.0 110.256 178.216 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1944 ' ' VAL . . . . . . . . . . . . . 8.0 p -72.65 -22.6 20.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.051 -175.533 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1945 ' ' TYR . . . . . 0.467 ' O ' ' HG3' ' A' 1949 ' ' GLU . 85.6 m-85 -66.97 -40.7 87.51 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.068 -0.515 . . . . 0.0 109.925 -178.809 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1946 ' ' THR . . . . . 0.539 HG22 ' HB2' ' A' 1937 ' ' LEU . 89.4 m -58.58 -41.24 85.3 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.516 -0.765 . . . . 0.0 110.209 173.82 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1947 ' ' LYS . . . . . 0.535 ' HG3' ' HB2' ' A' 1875 ' ' SER . 30.4 ttpt -63.12 -44.32 95.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.782 -0.644 . . . . 0.0 110.415 179.031 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1948 ' ' LYS . . . . . 0.493 ' HE2' ' HA ' ' A' 1948 ' ' LYS . 8.8 mmpt? -55.76 -51.12 68.48 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.545 179.76 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1949 ' ' GLU . . . . . 0.467 ' HG3' ' O ' ' A' 1945 ' ' TYR . 24.9 mt-10 -66.02 -28.62 69.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.109 -177.122 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1950 ' ' LEU . . . . . 0.591 HD11 HD22 ' A' 1882 ' ' LEU . 7.5 tt -61.83 -52.03 65.81 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.518 -0.549 . . . . 0.0 109.518 176.684 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1951 ' ' ILE . . . . . 0.597 ' HA ' HG12 ' A' 1872 ' ' VAL . 1.9 mp -63.49 -44.18 98.67 Favored 'Isoleucine or valine' 0 C--O 1.235 0.322 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.442 177.483 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1952 ' ' GLU . . . . . . . . . . . . . 28.7 mm-40 -64.81 -24.69 67.63 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.883 -0.599 . . . . 0.0 112.084 -177.591 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1953 ' ' CYS . . . . . . . . . . . . . 7.4 t -88.47 -42.92 11.81 Favored 'General case' 0 C--N 1.323 -0.547 0 C-N-CA 120.999 -0.28 . . . . 0.0 110.55 179.538 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1954 ' ' ALA . . . . . 0.406 ' O ' HG22 ' A' 1957 ' ' VAL . . . -62.07 -37.28 84.41 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.641 -177.482 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1955 ' ' ARG . . . . . . . . . . . . . 8.3 ptp180 -59.39 -26.95 65.56 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.984 0.421 . . . . 0.0 110.835 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1956 ' ' ARG . . . . . 0.645 ' O ' ' HG3' ' A' 1960 ' ' LYS . 27.9 mtt180 -81.7 -31.79 31.99 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.674 -176.796 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1957 ' ' VAL . . . . . 0.535 ' O ' HG13 ' A' 1961 ' ' VAL . 5.0 m -83.61 -23.51 8.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 C-N-CA 120.591 -0.444 . . . . 0.0 111.326 -175.36 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1958 ' ' SER . . . . . 0.66 ' O ' HG22 ' A' 1961 ' ' VAL . 18.7 m -59.7 -34.66 73.18 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-O 120.968 0.413 . . . . 0.0 110.979 179.522 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1959 ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -81.35 -26.25 35.7 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.704 0.288 . . . . 0.0 110.638 176.531 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1960 ' ' LYS . . . . . 0.645 ' HG3' ' O ' ' A' 1956 ' ' ARG . 57.9 mttm -67.96 -30.62 69.95 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.616 -0.266 . . . . 0.0 110.506 -179.554 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1961 ' ' VAL . . . . . 0.768 HG21 ' HB2' ' A' 1865 ' ' ALA . 2.5 m -65.35 -35.68 75.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 N-CA-C 109.095 -0.705 . . . . 0.0 109.095 175.026 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1962 ' ' SER . . . . . 0.596 ' HA ' HD12 ' A' 1965 ' ' LEU . 50.5 m -71.58 -24.66 61.95 Favored 'General case' 0 N--CA 1.45 -0.45 0 CA-C-N 114.93 -1.032 . . . . 0.0 110.186 177.487 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1963 ' ' HIS . . . . . 0.5 ' HB3' ' CD ' ' A' 1919 ' ' ARG . 59.0 m170 -73.83 -33.16 64.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.294 178.881 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1964 ' ' VAL . . . . . . . . . . . . . 96.4 t -66.38 -41.0 88.08 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.22 0 N-CA-C 109.188 -0.671 . . . . 0.0 109.188 174.1 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1965 ' ' LEU . . . . . 0.596 HD12 ' HA ' ' A' 1962 ' ' SER . 66.7 mt -58.69 -50.11 75.1 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.269 -0.878 . . . . 0.0 110.57 177.6 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1966 ' ' ALA . . . . . . . . . . . . . . . -68.71 -38.53 80.32 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.955 -0.566 . . . . 0.0 112.264 -176.16 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1967 ' ' ALA . . . . . . . . . . . . . . . -61.14 -41.15 96.22 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-O 121.202 0.525 . . . . 0.0 111.173 178.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1968 ' ' LEU . . . . . 0.847 ' HB3' ' HG3' ' A' 1854 ' ' GLN . 4.9 mp -71.78 -39.6 69.82 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.714 -0.675 . . . . 0.0 111.217 -179.479 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1969 ' ' GLN . . . . . . . . . . . . . 66.9 mt-30 . . . . . 0 C--N 1.321 -0.631 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.546 -178.053 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A 1850 ' ' PHE . . . . . 0.413 ' HA ' ' HD1' ' A' 1853 ' ' TYR . 87.2 t80 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.698 0.285 . . . . 0.0 111.207 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1851 ' ' VAL . . . . . . . . . . . . . 23.2 m -52.94 -35.02 21.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.159 -0.473 . . . . 0.0 112.215 -179.278 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1852 ' ' ASP . . . . . . . . . . . . . 32.2 t70 -78.04 -45.55 23.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.025 0.441 . . . . 0.0 110.619 -179.795 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1853 ' ' TYR . . . . . 0.595 ' O ' ' HG3' ' A' 1857 ' ' MET . 75.9 m-85 -61.29 -36.72 80.85 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.364 -179.874 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1854 ' ' GLN . . . . . 0.828 ' HG3' ' HB3' ' A' 1968 ' ' LEU . 23.9 tt0 -62.81 -57.69 10.0 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.507 174.751 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1855 ' ' THR . . . . . 0.539 ' O ' ' HG2' ' A' 1859 ' ' ARG . 30.6 m -57.55 -41.52 81.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.877 -173.873 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1856 ' ' THR . . . . . 0.477 HG22 ' O ' ' A' 1853 ' ' TYR . 13.8 t -60.3 -41.58 93.72 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.739 0.305 . . . . 0.0 111.416 -176.246 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1857 ' ' MET . . . . . 0.738 ' HG2' ' HB2' ' A' 1899 ' ' GLN . 4.0 mtp -82.55 -31.2 29.22 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 120.688 -0.405 . . . . 0.0 110.874 -175.605 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1858 ' ' VAL . . . . . 0.483 HG13 ' O ' ' A' 1854 ' ' GLN . 15.1 m -66.48 -35.28 74.5 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.283 0 C-N-CA 120.109 -0.636 . . . . 0.0 110.077 178.145 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1859 ' ' ARG . . . . . 0.539 ' HG2' ' O ' ' A' 1855 ' ' THR . 22.0 mmm180 -64.22 -37.68 88.35 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 121.225 0.536 . . . . 0.0 109.66 175.489 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1860 ' ' THR . . . . . 0.519 ' O ' HG13 ' A' 1864 ' ' ILE . 30.7 m -70.78 -45.29 64.95 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.262 -0.881 . . . . 0.0 111.075 -179.687 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1861 ' ' ALA . . . . . 0.424 ' HB1' ' HB ' ' A' 1961 ' ' VAL . . . -60.03 -41.47 92.3 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.19 -179.185 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1862 ' ' LYS . . . . . . . . . . . . . 54.8 mttm -67.1 -28.97 68.61 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.638 178.389 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1863 ' ' ALA . . . . . 0.407 ' O ' HG12 ' A' 1866 ' ' VAL . . . -73.85 -37.68 64.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.35 176.566 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1864 ' ' ILE . . . . . 0.832 HG12 ' HB3' ' A' 1892 ' ' ASP . 61.6 mt -64.26 -43.15 97.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-O 121.092 0.472 . . . . 0.0 110.013 175.413 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1865 ' ' ALA . . . . . 0.76 ' HB2' HG21 ' A' 1961 ' ' VAL . . . -58.06 -46.58 85.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.537 -0.756 . . . . 0.0 112.068 -177.462 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1866 ' ' VAL . . . . . 0.407 HG12 ' O ' ' A' 1863 ' ' ALA . 11.6 p -64.21 -34.33 68.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 C-N-CA 120.597 -0.441 . . . . 0.0 110.606 -178.928 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1867 ' ' THR . . . . . 0.715 ' O ' ' HG3' ' A' 1871 ' ' MET . 68.9 m -65.43 -51.82 57.54 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.552 -0.294 . . . . 0.0 110.832 178.222 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1868 ' ' VAL . . . . . 0.494 HG13 ' O ' ' A' 1864 ' ' ILE . 4.7 m -65.96 -32.2 57.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-O 121.375 0.607 . . . . 0.0 110.854 -176.686 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1869 ' ' GLN . . . . . 0.419 ' HB3' ' O ' ' A' 1865 ' ' ALA . 4.5 tp60 -72.34 -31.24 65.47 Favored 'General case' 0 N--CA 1.443 -0.811 0 CA-C-N 115.37 -0.832 . . . . 0.0 109.695 177.894 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1870 ' ' GLU . . . . . 0.617 ' O ' ' HG2' ' A' 1874 ' ' LYS . 23.5 mt-10 -66.95 -47.8 70.54 Favored 'General case' 0 C--O 1.22 -0.448 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.2 170.477 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1871 ' ' MET . . . . . 0.715 ' HG3' ' O ' ' A' 1867 ' ' THR . 59.7 mtp -52.81 -42.59 65.25 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.904 -174.547 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1872 ' ' VAL . . . . . 0.591 HG12 ' HA ' ' A' 1951 ' ' ILE . 29.5 m -70.43 -35.83 63.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 C-N-CA 120.797 -0.361 . . . . 0.0 111.231 178.757 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1873 ' ' THR . . . . . . . . . . . . . 94.6 m -70.08 -40.03 75.24 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 121.35 0.595 . . . . 0.0 110.463 178.412 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1874 ' ' LYS . . . . . 0.617 ' HG2' ' O ' ' A' 1870 ' ' GLU . 31.2 mmtp -74.97 -17.51 60.53 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.522 -0.763 . . . . 0.0 111.353 -176.092 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1875 ' ' SER . . . . . 0.415 ' HA ' HD11 ' A' 1882 ' ' LEU . 85.2 p -63.48 -16.28 60.22 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.166 0.507 . . . . 0.0 110.916 -179.144 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1876 ' ' ASN . . . . . . . . . . . . . 77.2 m-20 -85.52 -60.53 2.0 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.258 -178.121 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1877 ' ' THR . . . . . . . . . . . . . 33.6 p -118.19 2.52 11.99 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 112.678 0.621 . . . . 0.0 112.678 -171.834 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1878 ' ' SER . . . . . 0.476 ' HB3' ' HG2' ' A' 1881 ' ' GLU . 66.6 m -141.8 54.87 4.34 Favored Pre-proline 0 C--N 1.324 -0.534 0 N-CA-C 112.857 0.688 . . . . 0.0 112.857 -172.379 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1879 ' ' PRO . . . . . 0.978 ' HA ' HD12 ' A' 1882 ' ' LEU . 87.1 Cg_endo -78.8 -4.03 13.71 Favored 'Trans proline' 0 N--CA 1.454 -0.82 0 C-N-CA 121.028 1.152 . . . . 0.0 111.779 -177.506 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1880 ' ' GLU . . . . . . . . . . . . . 20.5 mm-40 -79.6 -45.08 19.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.006 178.629 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1881 ' ' GLU . . . . . 0.476 ' HG2' ' HB3' ' A' 1878 ' ' SER . 11.4 pt-20 -77.04 -11.83 59.86 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-O 121.142 0.496 . . . . 0.0 111.175 -178.284 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1882 ' ' LEU . . . . . 0.978 HD12 ' HA ' ' A' 1879 ' ' PRO . 1.9 mt -60.29 -27.37 67.23 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.603 -0.726 . . . . 0.0 112.25 179.594 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1883 ' ' GLY . . . . . . . . . . . . . . . -62.29 -60.77 7.41 Favored Glycine 0 CA--C 1.519 0.332 0 C-N-CA 120.519 -0.848 . . . . 0.0 111.747 174.764 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1884 ' ' PRO . . . . . . . . . . . . . 53.6 Cg_exo -50.19 -39.72 51.8 Favored 'Trans proline' 0 C--N 1.345 0.386 0 C-N-CA 122.791 2.327 . . . . 0.0 112.609 172.279 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1885 ' ' LEU . . . . . . . . . . . . . 33.7 mt -63.83 -36.82 85.16 Favored 'General case' 0 C--O 1.231 0.09 0 CA-C-O 120.643 0.259 . . . . 0.0 111.209 179.785 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1886 ' ' ALA . . . . . . . . . . . . . . . -65.27 -42.08 93.58 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.193 0.521 . . . . 0.0 110.343 176.929 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1887 ' ' ASN . . . . . . . . . . . . . 6.8 m-20 -65.42 -37.45 86.97 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.331 0.586 . . . . 0.0 109.762 176.656 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1888 ' ' GLN . . . . . . . . . . . . . 59.5 tp60 -62.11 -48.83 78.41 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.104 -0.953 . . . . 0.0 110.583 178.955 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1889 ' ' LEU . . . . . 0.415 HD12 ' SD ' ' A' 1871 ' ' MET . 0.5 OUTLIER -58.68 -43.25 89.89 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.291 0.567 . . . . 0.0 109.541 177.799 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A 1890 ' ' THR . . . . . . . . . . . . . 76.4 m -60.4 -40.09 89.72 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.34 -0.846 . . . . 0.0 111.077 178.647 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1891 ' ' SER . . . . . . . . . . . . . 30.3 t -71.59 -47.32 55.54 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.794 179.204 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1892 ' ' ASP . . . . . 0.832 ' HB3' HG12 ' A' 1864 ' ' ILE . 17.5 m-20 -59.12 -41.94 89.4 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.571 -178.167 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1893 ' ' TYR . . . . . . . . . . . . . 42.7 t80 -61.92 -40.29 94.98 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 120.909 -0.316 . . . . 0.0 111.104 -179.491 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1894 ' ' GLY . . . . . . . . . . . . . . . -57.74 -42.95 94.69 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.831 -0.7 . . . . 0.0 111.876 179.323 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1895 ' ' ARG . . . . . . . . . . . . . 67.3 ttt180 -61.17 -44.21 97.67 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.096 0.474 . . . . 0.0 110.457 178.223 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1896 ' ' LEU . . . . . 0.781 HD11 HG11 ' A' 1964 ' ' VAL . 43.7 tp -64.3 -57.28 9.86 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.751 -0.659 . . . . 0.0 111.724 -178.137 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1897 ' ' ALA . . . . . . . . . . . . . . . -60.32 -23.2 64.03 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.718 -0.674 . . . . 0.0 112.357 -173.229 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1898 ' ' SER . . . . . . . . . . . . . 55.6 m -80.91 -24.42 38.23 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 121.085 0.469 . . . . 0.0 110.752 -172.955 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1899 ' ' GLN . . . . . 0.738 ' HB2' ' HG2' ' A' 1857 ' ' MET . 19.2 mm-40 -84.1 -11.3 56.87 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.204 -179.778 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1900 ' ' ALA . . . . . . . . . . . . . . . -69.06 -30.75 69.15 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.043 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1901 ' ' LYS . . . . . 0.654 ' HB3' ' HD3' ' A' 1902 ' ' PRO . 8.2 tmtt? -64.53 -57.0 18.58 Favored Pre-proline 0 CA--C 1.538 0.507 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.597 -178.759 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1902 ' ' PRO . . . . . 0.654 ' HD3' ' HB3' ' A' 1901 ' ' LYS . 15.6 Cg_exo -69.03 -30.44 25.68 Favored 'Trans proline' 0 C--N 1.354 0.863 0 C-N-CA 121.871 1.714 . . . . 0.0 112.345 179.834 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1903 ' ' ALA . . . . . . . . . . . . . . . -66.38 -36.26 82.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.835 0.35 . . . . 0.0 111.344 -178.773 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1904 ' ' ALA . . . . . . . . . . . . . . . -70.14 -32.11 69.94 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.767 -175.576 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1905 ' ' VAL . . . . . . . . . . . . . 34.1 m -94.57 -7.31 10.03 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.471 -176.29 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1906 ' ' ALA . . . . . . . . . . . . . . . -100.98 -7.59 23.19 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.815 0.34 . . . . 0.0 111.252 -179.518 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1907 ' ' ALA . . . . . . . . . . . . . . . -84.82 144.97 28.1 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.55 179.699 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1908 ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -86.25 -12.44 49.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.162 178.14 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1909 ' ' ASN . . . . . 0.511 ' HB3' HG13 ' A' 1912 ' ' ILE . 50.1 t-20 -109.96 131.75 54.77 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 109.822 -0.436 . . . . 0.0 109.822 -179.091 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1910 ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -53.31 -52.16 60.02 Favored 'General case' 0 C--N 1.328 -0.341 0 O-C-N 123.877 0.735 . . . . 0.0 111.474 179.487 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1911 ' ' GLU . . . . . . . . . . . . . 13.0 mt-10 -66.13 -31.93 73.08 Favored 'General case' 0 N--CA 1.448 -0.55 0 CA-C-N 115.734 -0.666 . . . . 0.0 112.133 -171.67 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1912 ' ' ILE . . . . . 0.563 ' O ' HG13 ' A' 1916 ' ' ILE . 63.7 mt -57.84 -53.69 41.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 C-N-CA 120.61 -0.436 . . . . 0.0 110.093 179.125 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1913 ' ' GLY . . . . . . . . . . . . . . . -67.13 -29.05 73.98 Favored Glycine 0 N--CA 1.449 -0.487 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.175 -179.359 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1914 ' ' ALA . . . . . . . . . . . . . . . -74.38 -48.61 26.85 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.656 0.265 . . . . 0.0 110.856 -178.645 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1915 ' ' HIS . . . . . . . . . . . . . 70.1 m-70 -59.42 -38.9 81.83 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.317 -177.048 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1916 ' ' ILE . . . . . 0.563 HG13 ' O ' ' A' 1912 ' ' ILE . 82.9 mt -53.02 -55.62 11.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.967 178.708 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1917 ' ' LYS . . . . . 0.442 ' HA ' HG22 ' A' 1920 ' ' VAL . 48.4 mtmt -67.25 -24.65 65.82 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.8 -0.636 . . . . 0.0 112.032 -176.109 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1918 ' ' HIS . . . . . . . . . . . . . 40.3 m80 -78.13 -34.96 49.62 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.039 0.447 . . . . 0.0 110.858 177.633 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1919 ' ' ARG . . . . . 0.481 ' CD ' ' HB3' ' A' 1963 ' ' HIS . 24.7 mmt180 -81.01 -32.95 33.97 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.848 -176.554 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1920 ' ' VAL . . . . . 0.442 HG22 ' HA ' ' A' 1917 ' ' LYS . 35.5 m -70.27 -24.35 25.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 C-N-CA 120.51 -0.476 . . . . 0.0 110.057 175.869 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1921 ' ' GLN . . . . . . . . . . . . . 30.2 tt0 -66.06 -36.38 83.06 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.091 -0.504 . . . . 0.0 109.947 175.92 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1922 ' ' GLU . . . . . 0.96 ' HB3' ' HD3' ' A' 1960 ' ' LYS . 33.4 mt-10 -58.26 -52.7 64.46 Favored 'General case' 0 CA--C 1.521 -0.164 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.251 175.104 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1923 ' ' LEU . . . . . 0.414 ' CD2' ' HB ' ' A' 1957 ' ' VAL . 69.8 mt -65.35 -23.71 67.06 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.411 -0.813 . . . . 0.0 111.33 -179.54 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1924 ' ' GLY . . . . . . . . . . . . . . . -63.09 -53.52 39.64 Favored Glycine 0 N--CA 1.448 -0.549 0 C-N-CA 120.719 -0.753 . . . . 0.0 111.739 176.325 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1925 ' ' HIS . . . . . . . . . . . . . 38.6 m80 -74.65 -30.48 61.63 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.838 0.352 . . . . 0.0 110.351 179.817 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1926 ' ' GLY . . . . . . . . . . . . . . . -67.39 -41.46 90.94 Favored Glycine 0 N--CA 1.448 -0.518 0 C-N-CA 120.867 -0.683 . . . . 0.0 112.151 177.274 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1927 ' ' CYS . . . . . . . . . . . . . 52.6 t -62.61 -52.27 64.01 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 110.426 -0.213 . . . . 0.0 110.426 179.057 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1928 ' ' SER . . . . . . . . . . . . . 10.4 p -60.33 -35.92 76.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.905 0.383 . . . . 0.0 111.121 -178.203 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1929 ' ' ALA . . . . . . . . . . . . . . . -68.78 -50.91 46.49 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.705 177.36 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1930 ' ' LEU . . . . . 0.549 HD11 ' HB2' ' A' 1954 ' ' ALA . 0.6 OUTLIER -62.57 -48.07 81.06 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.76 -0.654 . . . . 0.0 111.102 -175.84 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A 1931 ' ' VAL . . . . . . . . . . . . . 22.9 m -64.96 -27.87 43.43 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-O 120.726 0.298 . . . . 0.0 111.457 -176.272 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1932 ' ' THR . . . . . . . . . . . . . 89.0 m -71.91 -43.49 65.25 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.993 0.425 . . . . 0.0 110.06 175.949 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1933 ' ' LYS . . . . . . . . . . . . . 31.7 mmtp -69.33 -37.25 77.62 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.661 179.711 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1934 ' ' ALA . . . . . 0.416 ' HA ' HD12 ' A' 1950 ' ' LEU . . . -62.67 -46.93 85.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.741 176.253 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1935 ' ' GLY . . . . . . . . . . . . . . . -63.92 -40.1 97.97 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.889 -0.672 . . . . 0.0 111.907 178.293 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1936 ' ' ALA . . . . . . . . . . . . . . . -65.15 -37.15 86.48 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.771 0.32 . . . . 0.0 111.214 178.446 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1937 ' ' LEU . . . . . 0.507 ' HB2' HG22 ' A' 1946 ' ' THR . 49.1 tp -71.96 -31.62 66.48 Favored 'General case' 0 CA--C 1.515 -0.367 0 CA-C-O 120.826 0.346 . . . . 0.0 110.473 179.342 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1938 ' ' GLN . . . . . 0.588 ' HG3' ' O ' ' A' 1879 ' ' PRO . 26.5 tt0 -68.88 -26.31 65.06 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.373 0.606 . . . . 0.0 109.423 178.017 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1939 ' ' CYS . . . . . . . . . . . . . 49.5 t -81.25 -40.53 23.6 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.491 175.896 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1940 ' ' SER . . . . . . . . . . . . . 72.2 m -132.07 86.76 46.09 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.19 179.344 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1941 ' ' PRO . . . . . . . . . . . . . 3.3 Cg_exo -78.76 -13.32 14.58 Favored 'Trans proline' 0 C--N 1.344 0.307 0 C-N-CA 123.218 2.612 . . . . 0.0 112.579 -179.263 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1942 ' ' SER . . . . . . . . . . . . . 16.2 m -88.54 -4.68 58.55 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.186 0.517 . . . . 0.0 110.306 -179.363 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1943 ' ' ASP . . . . . . . . . . . . . 19.6 t70 -90.98 117.96 29.98 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.7 -0.682 . . . . 0.0 109.772 177.798 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1944 ' ' VAL . . . . . 0.428 ' O ' ' HG2' ' A' 1948 ' ' LYS . 6.0 p -75.57 -30.7 22.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-N 116.422 -0.353 . . . . 0.0 110.875 -175.475 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1945 ' ' TYR . . . . . . . . . . . . . 96.4 m-85 -60.57 -49.65 76.67 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.802 0.334 . . . . 0.0 110.761 -176.84 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1946 ' ' THR . . . . . 0.507 HG22 ' HB2' ' A' 1937 ' ' LEU . 27.7 m -58.15 -40.55 81.65 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.658 177.932 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1947 ' ' LYS . . . . . 0.411 ' O ' HD13 ' A' 1951 ' ' ILE . 6.0 ttpp -65.42 -45.3 84.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.757 -0.656 . . . . 0.0 109.936 179.175 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1948 ' ' LYS . . . . . 0.491 ' HE2' ' HA ' ' A' 1948 ' ' LYS . 8.4 mmpt? -58.68 -48.9 79.51 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.209 179.24 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1949 ' ' GLU . . . . . . . . . . . . . 49.8 mm-40 -53.6 -45.24 69.97 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.514 -0.766 . . . . 0.0 111.337 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1950 ' ' LEU . . . . . 0.416 HD12 ' HA ' ' A' 1934 ' ' ALA . 7.2 tt -58.89 -45.24 90.72 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.271 179.836 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1951 ' ' ILE . . . . . 0.591 ' HA ' HG12 ' A' 1872 ' ' VAL . 1.7 mp -62.64 -41.83 93.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.617 177.802 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1952 ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -67.79 -22.46 65.19 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.943 -178.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1953 ' ' CYS . . . . . . . . . . . . . 86.0 m -86.21 -52.16 5.82 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.428 -178.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1954 ' ' ALA . . . . . 0.549 ' HB2' HD11 ' A' 1930 ' ' LEU . . . -65.88 -33.68 76.38 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 111.613 0.227 . . . . 0.0 111.613 -176.392 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1955 ' ' ARG . . . . . . . . . . . . . 17.0 ptm180 -60.81 -32.26 71.63 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.9 0.381 . . . . 0.0 110.162 178.36 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1956 ' ' ARG . . . . . 0.506 ' O ' ' HG3' ' A' 1960 ' ' LYS . 90.7 mtt180 -75.77 -49.89 16.83 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.513 -179.748 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1957 ' ' VAL . . . . . 0.629 ' O ' HG13 ' A' 1961 ' ' VAL . 10.4 m -67.07 -26.39 36.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.588 -174.81 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1958 ' ' SER . . . . . 0.625 ' O ' HG22 ' A' 1961 ' ' VAL . 28.7 t -60.36 -32.26 71.11 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-O 121.072 0.463 . . . . 0.0 110.42 176.877 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1959 ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -81.86 -32.54 31.05 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 122.081 -0.387 . . . . 0.0 111.001 173.857 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1960 ' ' LYS . . . . . 0.96 ' HD3' ' HB3' ' A' 1922 ' ' GLU . 60.8 mttm -64.59 -33.36 75.75 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.497 -179.309 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1961 ' ' VAL . . . . . 0.76 HG21 ' HB2' ' A' 1865 ' ' ALA . 5.4 m -67.71 -34.77 69.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 N-CA-C 109.694 -0.484 . . . . 0.0 109.694 174.529 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1962 ' ' SER . . . . . 0.6 ' HA ' HD12 ' A' 1965 ' ' LEU . 29.9 t -69.65 -28.13 65.63 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.736 -0.665 . . . . 0.0 109.911 176.719 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1963 ' ' HIS . . . . . 0.481 ' HB3' ' CD ' ' A' 1919 ' ' ARG . 51.6 m170 -70.15 -34.48 73.07 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.27 178.805 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1964 ' ' VAL . . . . . 0.781 HG11 HD11 ' A' 1896 ' ' LEU . 77.7 t -67.45 -42.61 87.35 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.116 0 N-CA-C 109.136 -0.69 . . . . 0.0 109.136 173.469 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1965 ' ' LEU . . . . . 0.622 ' HG ' ' O ' ' A' 1961 ' ' VAL . 76.1 mt -57.23 -45.55 83.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.312 -0.858 . . . . 0.0 110.465 177.513 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1966 ' ' ALA . . . . . . . . . . . . . . . -69.05 -41.71 77.25 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.553 -179.392 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1967 ' ' ALA . . . . . . . . . . . . . . . -60.63 -42.64 97.31 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.029 0.442 . . . . 0.0 110.996 178.761 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1968 ' ' LEU . . . . . 0.828 ' HB3' ' HG3' ' A' 1854 ' ' GLN . 91.9 mt -71.87 -33.28 68.26 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.225 -179.711 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1969 ' ' GLN . . . . . . . . . . . . . 48.7 mt-30 . . . . . 0 C--N 1.324 -0.501 0 CA-C-O 120.655 0.264 . . . . 0.0 111.299 -178.872 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A 1850 ' ' PHE . . . . . . . . . . . . . 63.6 t80 . . . . . 0 N--CA 1.453 -0.303 0 CA-C-O 121.408 0.623 . . . . 0.0 109.424 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A 1851 ' ' VAL . . . . . . . . . . . . . 9.3 m -62.99 -29.29 46.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 114.897 -1.047 . . . . 0.0 111.75 -177.439 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1852 ' ' ASP . . . . . . . . . . . . . 26.9 m-20 -71.41 -49.74 38.9 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.107 0.479 . . . . 0.0 110.205 -178.35 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1853 ' ' TYR . . . . . 0.651 ' O ' HG22 ' A' 1856 ' ' THR . 49.1 m-85 -70.91 -33.48 70.58 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.037 -179.754 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1854 ' ' GLN . . . . . 0.981 ' HG3' ' HB3' ' A' 1968 ' ' LEU . 45.2 tt0 -57.72 -59.26 5.48 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.087 177.464 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1855 ' ' THR . . . . . 0.729 ' O ' ' HG2' ' A' 1859 ' ' ARG . 27.2 m -59.01 -34.87 72.38 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.577 -0.738 . . . . 0.0 111.781 -174.245 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1856 ' ' THR . . . . . 0.651 HG22 ' O ' ' A' 1853 ' ' TYR . 5.8 t -69.2 -45.41 69.96 Favored 'General case' 0 C--N 1.323 -0.554 0 C-N-CA 120.857 -0.337 . . . . 0.0 111.562 -174.551 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1857 ' ' MET . . . . . 0.462 ' HB2' HD12 ' A' 1896 ' ' LEU . 9.9 ptm -81.58 -26.95 34.53 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 111.857 0.318 . . . . 0.0 111.857 -173.142 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1858 ' ' VAL . . . . . 0.435 HG13 ' O ' ' A' 1854 ' ' GLN . 19.9 m -66.07 -29.26 46.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 C-N-CA 119.874 -0.73 . . . . 0.0 109.53 174.86 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1859 ' ' ARG . . . . . 0.729 ' HG2' ' O ' ' A' 1855 ' ' THR . 8.0 mmt180 -73.5 -41.45 63.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.122 176.771 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1860 ' ' THR . . . . . 0.431 ' O ' HG13 ' A' 1864 ' ' ILE . 5.9 m -64.4 -37.21 86.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.987 -0.552 . . . . 0.0 110.939 178.481 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1861 ' ' ALA . . . . . 0.443 ' HB1' ' HB ' ' A' 1961 ' ' VAL . . . -60.18 -41.8 93.64 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.087 0.47 . . . . 0.0 110.462 176.822 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1862 ' ' LYS . . . . . . . . . . . . . 52.9 mttm -65.49 -38.96 91.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.159 176.884 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1863 ' ' ALA . . . . . . . . . . . . . . . -62.1 -42.76 99.54 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.752 178.292 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1864 ' ' ILE . . . . . 0.583 ' O ' HG13 ' A' 1868 ' ' VAL . 58.9 mt -63.92 -45.58 96.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-O 120.921 0.391 . . . . 0.0 110.177 176.294 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1865 ' ' ALA . . . . . 0.779 ' HB2' HG21 ' A' 1961 ' ' VAL . . . -57.61 -44.79 85.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.897 -178.071 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1866 ' ' VAL . . . . . . . . . . . . . 14.6 p -67.08 -32.79 59.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 C-N-CA 120.684 -0.407 . . . . 0.0 110.38 179.853 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1867 ' ' THR . . . . . 0.622 ' O ' ' HG3' ' A' 1871 ' ' MET . 94.9 m -63.42 -53.8 46.6 Favored 'General case' 0 N--CA 1.455 -0.206 0 CA-C-N 116.688 -0.233 . . . . 0.0 110.802 176.559 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1868 ' ' VAL . . . . . 0.583 HG13 ' O ' ' A' 1864 ' ' ILE . 2.4 m -60.49 -31.89 49.95 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.242 0 CA-C-O 121.439 0.638 . . . . 0.0 110.276 -177.892 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1869 ' ' GLN . . . . . . . . . . . . . 64.0 tp60 -75.88 -32.22 59.6 Favored 'General case' 0 N--CA 1.424 -1.751 0 CA-C-N 115.141 -0.936 . . . . 0.0 110.515 -178.586 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1870 ' ' GLU . . . . . 0.558 ' O ' ' HG2' ' A' 1874 ' ' LYS . 38.8 mt-10 -68.12 -44.88 75.14 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.264 -0.425 . . . . 0.0 109.95 171.894 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1871 ' ' MET . . . . . 0.637 ' HG2' ' HB3' ' A' 1885 ' ' LEU . 67.6 mtp -55.03 -49.89 70.43 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.471 -0.786 . . . . 0.0 111.058 -177.896 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1872 ' ' VAL . . . . . 0.55 ' HB ' HG13 ' A' 1951 ' ' ILE . 34.3 m -66.68 -30.37 49.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 C-N-CA 121.059 -0.256 . . . . 0.0 111.607 -179.279 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1873 ' ' THR . . . . . . . . . . . . . 58.8 m -68.43 -48.62 64.12 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 109.68 -0.489 . . . . 0.0 109.68 175.858 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1874 ' ' LYS . . . . . 0.558 ' HG2' ' O ' ' A' 1870 ' ' GLU . 69.5 mmtt -57.69 -34.83 69.83 Favored 'General case' 0 C--O 1.212 -0.881 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.682 177.134 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1875 ' ' SER . . . . . 0.426 ' HA ' HD11 ' A' 1882 ' ' LEU . 19.3 m -61.38 -10.71 7.87 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 112.378 0.51 . . . . 0.0 112.378 -176.817 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1876 ' ' ASN . . . . . . . . . . . . . 48.8 m-80 -93.55 -37.67 11.78 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 111.908 0.336 . . . . 0.0 111.908 -179.668 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1877 ' ' THR . . . . . . . . . . . . . 67.1 p -121.25 -24.7 5.42 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.246 0.546 . . . . 0.0 112.0 -175.775 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1878 ' ' SER . . . . . . . . . . . . . 11.7 m -132.95 85.04 47.32 Favored Pre-proline 0 N--CA 1.439 -0.999 0 CA-C-N 115.486 -0.779 . . . . 0.0 112.531 -166.151 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1879 ' ' PRO . . . . . 0.781 ' HA ' HD12 ' A' 1882 ' ' LEU . 7.3 Cg_exo -67.93 -29.35 34.59 Favored 'Trans proline' 0 C--N 1.319 -1.005 0 C-N-CA 121.405 1.404 . . . . 0.0 110.88 174.327 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1880 ' ' GLU . . . . . . . . . . . . . 43.8 mp0 -66.93 -38.11 85.56 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.147 -0.933 . . . . 0.0 111.047 -175.285 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1881 ' ' GLU . . . . . 0.416 ' HG3' ' HD2' ' A' 1874 ' ' LYS . 6.7 mm-40 -67.69 -15.93 63.89 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.761 -176.713 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1882 ' ' LEU . . . . . 0.781 HD12 ' HA ' ' A' 1879 ' ' PRO . 12.3 mt -74.22 -16.22 60.97 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.795 -176.884 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1883 ' ' GLY . . . . . . . . . . . . . . . -65.15 -61.7 5.54 Favored Glycine 0 CA--C 1.52 0.373 0 C-N-CA 120.62 -0.8 . . . . 0.0 112.374 178.156 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1884 ' ' PRO . . . . . . . . . . . . . 20.5 Cg_endo -63.34 -32.83 72.04 Favored 'Trans proline' 0 C--N 1.347 0.47 0 C-N-CA 122.441 2.094 . . . . 0.0 112.67 177.937 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1885 ' ' LEU . . . . . 0.637 ' HB3' ' HG2' ' A' 1871 ' ' MET . 54.7 mt -65.93 -34.91 79.19 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 111.761 0.282 . . . . 0.0 111.761 -177.887 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1886 ' ' ALA . . . . . . . . . . . . . . . -64.95 -41.7 95.27 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.135 0.493 . . . . 0.0 110.18 177.152 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1887 ' ' ASN . . . . . . . . . . . . . 87.2 m-20 -71.08 -29.51 65.39 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.062 177.563 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1888 ' ' GLN . . . . . . . . . . . . . 49.3 tp60 -65.9 -51.05 62.06 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.458 177.479 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1889 ' ' LEU . . . . . 0.423 HD12 ' SD ' ' A' 1871 ' ' MET . 1.2 tt -56.46 -46.63 80.27 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.46 0.647 . . . . 0.0 109.388 177.917 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1890 ' ' THR . . . . . . . . . . . . . 56.8 m -58.17 -35.18 71.19 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.117 -0.947 . . . . 0.0 111.16 178.684 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1891 ' ' SER . . . . . . . . . . . . . 28.9 t -69.91 -50.93 37.38 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.814 178.389 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1892 ' ' ASP . . . . . . . . . . . . . 77.2 m-20 -61.71 -41.76 98.05 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.348 -176.646 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1893 ' ' TYR . . . . . . . . . . . . . 39.1 t80 -56.94 -40.81 77.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.072 178.627 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1894 ' ' GLY . . . . . . . . . . . . . . . -57.34 -33.65 66.19 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 121.184 -0.531 . . . . 0.0 112.392 -179.041 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1895 ' ' ARG . . . . . 0.464 ' HD2' ' N ' ' A' 1895 ' ' ARG . 9.0 mpt_? -77.37 -49.96 13.78 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.649 0.261 . . . . 0.0 110.357 179.336 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1896 ' ' LEU . . . . . 0.653 HD11 HG11 ' A' 1964 ' ' VAL . 66.5 tp -55.46 -46.78 76.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.437 -177.847 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1897 ' ' ALA . . . . . . . . . . . . . . . -67.27 -27.05 66.88 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.446 -177.721 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1898 ' ' SER . . . . . . . . . . . . . 18.8 t -81.89 -29.27 32.48 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.334 0.588 . . . . 0.0 110.045 -176.166 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1899 ' ' GLN . . . . . 0.416 ' OE1' ' HA ' ' A' 1857 ' ' MET . 83.1 mt-30 -79.29 -12.06 59.94 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.397 -0.819 . . . . 0.0 110.453 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1900 ' ' ALA . . . . . 0.416 ' HA ' ' HE1' ' A' 1857 ' ' MET . . . -74.53 -35.96 63.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.677 -0.692 . . . . 0.0 111.838 -179.083 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1901 ' ' LYS . . . . . 0.513 ' HB3' ' HD3' ' A' 1902 ' ' PRO . 2.3 tmmm? -62.93 -57.75 19.87 Favored Pre-proline 0 CA--C 1.541 0.622 0 CA-C-N 116.52 -0.309 . . . . 0.0 111.144 -175.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1902 ' ' PRO . . . . . 0.513 ' HD3' ' HB3' ' A' 1901 ' ' LYS . 44.3 Cg_endo -67.46 -19.7 48.74 Favored 'Trans proline' 0 C--N 1.354 0.857 0 C-N-CA 121.934 1.756 . . . . 0.0 112.738 -177.804 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1903 ' ' ALA . . . . . . . . . . . . . . . -76.66 -33.66 58.29 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.095 0.474 . . . . 0.0 110.533 178.23 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1904 ' ' ALA . . . . . . . . . . . . . . . -71.27 -32.95 69.31 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.581 -177.092 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1905 ' ' VAL . . . . . . . . . . . . . 36.0 m -88.39 -15.69 9.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 115.639 -0.71 . . . . 0.0 110.987 179.449 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1906 ' ' ALA . . . . . . . . . . . . . . . -76.06 -43.9 41.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.271 -0.422 . . . . 0.0 109.94 176.641 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1907 ' ' ALA . . . . . . . . . . . . . . . -73.03 135.04 44.85 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.76 -0.654 . . . . 0.0 110.12 176.423 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1908 ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -90.02 -21.1 22.53 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 120.888 0.375 . . . . 0.0 110.596 -177.565 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1909 ' ' ASN . . . . . . . . . . . . . 51.3 m-80 -76.55 144.39 39.72 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.054 0.454 . . . . 0.0 110.481 177.665 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1910 ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -60.81 -53.97 50.85 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.281 -0.872 . . . . 0.0 111.488 -177.884 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1911 ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 -68.05 -43.11 79.41 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.761 -0.654 . . . . 0.0 112.282 -171.635 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1912 ' ' ILE . . . . . 0.589 ' O ' HG13 ' A' 1916 ' ' ILE . 57.9 mt -53.67 -53.71 24.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 C-N-CA 120.927 -0.309 . . . . 0.0 110.438 -177.043 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1913 ' ' GLY . . . . . 0.578 ' HA2' HD12 ' A' 1916 ' ' ILE . . . -69.76 -28.35 72.16 Favored Glycine 0 CA--C 1.519 0.335 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.786 -179.884 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1914 ' ' ALA . . . . . . . . . . . . . . . -75.68 -40.65 55.56 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.655 0.264 . . . . 0.0 111.108 -177.161 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1915 ' ' HIS . . . . . 0.43 ' O ' ' HG2' ' A' 1919 ' ' ARG . 82.2 m-70 -67.04 -35.18 79.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.849 -179.205 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1916 ' ' ILE . . . . . 0.589 HG13 ' O ' ' A' 1912 ' ' ILE . 97.8 mt -53.35 -59.23 1.93 Allowed 'Isoleucine or valine' 0 C--O 1.233 0.219 0 CA-C-N 115.657 -0.701 . . . . 0.0 111.165 178.913 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1917 ' ' LYS . . . . . 0.421 ' HE3' ' HB2' ' A' 1917 ' ' LYS . 51.8 mtmt -69.66 -27.45 65.04 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.28 -177.42 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1918 ' ' HIS . . . . . 0.443 ' O ' ' HG3' ' A' 1922 ' ' GLU . 41.6 t-80 -64.93 -46.16 82.79 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.973 0.416 . . . . 0.0 110.574 -178.766 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1919 ' ' ARG . . . . . 0.43 ' HG2' ' O ' ' A' 1915 ' ' HIS . 29.6 mmt180 -71.53 -37.65 71.14 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.633 -174.778 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1920 ' ' VAL . . . . . . . . . . . . . 23.2 m -71.7 -28.84 32.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.937 0.399 . . . . 0.0 110.382 179.031 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1921 ' ' GLN . . . . . . . . . . . . . 28.9 tt0 -66.78 -42.56 85.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.972 -0.558 . . . . 0.0 109.975 175.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1922 ' ' GLU . . . . . 0.443 ' HG3' ' O ' ' A' 1918 ' ' HIS . 40.3 mt-10 -65.08 -40.25 94.39 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.27 176.277 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1923 ' ' LEU . . . . . 0.454 HD21 ' HB2' ' A' 1960 ' ' LYS . 30.0 mt -64.57 -33.15 75.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.165 177.643 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1924 ' ' GLY . . . . . . . . . . . . . . . -53.91 -45.09 71.57 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 121.273 -0.489 . . . . 0.0 112.806 179.706 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1925 ' ' HIS . . . . . . . . . . . . . 27.7 m80 -78.4 -31.87 48.48 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.917 0.389 . . . . 0.0 110.458 -178.8 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1926 ' ' GLY . . . . . . . . . . . . . . . -69.92 -40.43 74.15 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.207 179.668 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1927 ' ' CYS . . . . . . . . . . . . . 66.7 m -66.19 -43.13 87.72 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.463 0.173 . . . . 0.0 110.784 179.358 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1928 ' ' SER . . . . . . . . . . . . . 21.9 p -65.64 -33.56 76.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.953 0.406 . . . . 0.0 110.665 -178.571 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1929 ' ' ALA . . . . . . . . . . . . . . . -69.38 -45.51 69.14 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.332 176.499 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1930 ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -62.18 -50.23 72.63 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.636 -178.147 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1931 ' ' VAL . . . . . . . . . . . . . 27.6 m -63.08 -28.37 44.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-O 120.7 0.286 . . . . 0.0 111.324 -177.027 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1932 ' ' THR . . . . . . . . . . . . . 86.0 m -72.06 -41.53 67.29 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-O 120.819 0.342 . . . . 0.0 110.23 176.462 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1933 ' ' LYS . . . . . . . . . . . . . 73.6 mmtt -65.53 -40.66 93.18 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.444 176.535 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1934 ' ' ALA . . . . . . . . . . . . . . . -60.5 -48.59 81.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.577 177.174 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1935 ' ' GLY . . . . . . . . . . . . . . . -63.8 -30.27 77.2 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.926 -0.654 . . . . 0.0 112.389 178.71 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1936 ' ' ALA . . . . . . . . . . . . . . . -74.46 -46.54 39.09 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.42 0.152 . . . . 0.0 111.018 179.764 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1937 ' ' LEU . . . . . 0.499 ' CD1' ' HA ' ' A' 1941 ' ' PRO . 30.6 tp -68.17 -28.92 67.7 Favored 'General case' 0 CA--C 1.518 -0.278 0 CA-C-O 121.369 0.604 . . . . 0.0 110.189 179.82 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1938 ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -64.8 -27.85 69.16 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.325 -0.852 . . . . 0.0 109.618 178.138 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1939 ' ' CYS . . . . . . . . . . . . . 58.7 m -86.22 -44.41 12.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.466 176.256 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1940 ' ' SER . . . . . . . . . . . . . 74.5 m -129.09 93.13 37.39 Favored Pre-proline 0 C--N 1.327 -0.41 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.275 -179.882 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1941 ' ' PRO . . . . . 0.499 ' HA ' ' CD1' ' A' 1937 ' ' LEU . 83.2 Cg_endo -84.68 -8.69 9.28 Favored 'Trans proline' 0 CA--C 1.53 0.32 0 C-N-CA 122.896 2.397 . . . . 0.0 113.641 -177.282 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1942 ' ' SER . . . . . . . . . . . . . 38.6 m -86.83 -13.88 43.74 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.914 0.387 . . . . 0.0 111.196 -176.687 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1943 ' ' ASP . . . . . . . . . . . . . 14.8 t70 -86.27 114.63 23.24 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.942 -0.572 . . . . 0.0 109.615 177.484 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1944 ' ' VAL . . . . . . . . . . . . . 3.7 p -72.59 -29.2 29.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.875 -174.166 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1945 ' ' TYR . . . . . . . . . . . . . 92.9 m-85 -66.03 -37.28 85.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.13 0.491 . . . . 0.0 110.411 -178.85 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1946 ' ' THR . . . . . . . . . . . . . 31.6 m -64.64 -41.53 96.07 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.095 175.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1947 ' ' LYS . . . . . 0.401 ' HB3' ' HE2' ' A' 1947 ' ' LYS . 34.2 ttpt -70.92 -44.89 65.22 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.868 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1948 ' ' LYS . . . . . 0.497 ' HE2' ' HA ' ' A' 1948 ' ' LYS . 6.2 mmpt? -53.14 -53.7 46.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.149 -177.493 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1949 ' ' GLU . . . . . . . . . . . . . 62.7 mm-40 -59.94 -29.57 68.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.89 -178.264 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1950 ' ' LEU . . . . . 0.431 HD11 HD22 ' A' 1882 ' ' LEU . 6.3 tt -64.69 -55.27 21.1 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.426 -0.583 . . . . 0.0 109.426 178.329 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1951 ' ' ILE . . . . . 0.55 HG13 ' HB ' ' A' 1872 ' ' VAL . 2.2 mp -63.23 -46.46 95.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.588 179.816 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1952 ' ' GLU . . . . . 0.461 ' O ' ' HG3' ' A' 1956 ' ' ARG . 52.4 mt-10 -64.04 -25.79 68.27 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.593 -177.599 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1953 ' ' CYS . . . . . . . . . . . . . 20.2 t -80.75 -40.4 25.25 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.834 0.349 . . . . 0.0 110.367 178.157 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1954 ' ' ALA . . . . . . . . . . . . . . . -63.71 -39.26 93.86 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.682 -178.087 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1955 ' ' ARG . . . . . 0.412 ' HA ' ' OG ' ' A' 1958 ' ' SER . 0.0 OUTLIER -70.79 -22.91 62.31 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.694 0.283 . . . . 0.0 110.964 179.073 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A 1956 ' ' ARG . . . . . 0.565 ' O ' ' HG2' ' A' 1960 ' ' LYS . 81.7 mtp180 -75.74 -41.23 53.9 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.58 -0.282 . . . . 0.0 110.572 176.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1957 ' ' VAL . . . . . 0.505 ' O ' HG13 ' A' 1961 ' ' VAL . 12.3 m -78.02 -22.97 13.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 C-N-CA 120.96 -0.296 . . . . 0.0 111.474 -177.341 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1958 ' ' SER . . . . . 0.531 ' O ' HG22 ' A' 1961 ' ' VAL . 1.3 p -69.61 -26.94 64.68 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 111.61 0.226 . . . . 0.0 111.61 -177.831 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1959 ' ' GLU . . . . . 0.431 ' HG2' ' O ' ' A' 1956 ' ' ARG . 12.6 pt-20 -80.94 -26.62 36.54 Favored 'General case' 0 C--N 1.331 -0.218 0 C-N-CA 120.195 -0.602 . . . . 0.0 109.801 172.823 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1960 ' ' LYS . . . . . 0.565 ' HG2' ' O ' ' A' 1956 ' ' ARG . 12.5 mmmm -71.04 -35.98 72.19 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.478 -179.701 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1961 ' ' VAL . . . . . 0.779 HG21 ' HB2' ' A' 1865 ' ' ALA . 5.9 m -66.01 -33.49 63.92 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.168 0 CA-C-O 120.952 0.406 . . . . 0.0 109.943 176.054 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1962 ' ' SER . . . . . 0.691 ' HA ' HD12 ' A' 1965 ' ' LEU . 42.2 t -65.92 -27.1 67.93 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 121.354 0.597 . . . . 0.0 109.962 176.794 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1963 ' ' HIS . . . . . . . . . . . . . 62.6 m170 -79.76 -23.96 41.87 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.872 -0.603 . . . . 0.0 110.284 -179.038 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1964 ' ' VAL . . . . . 0.653 HG11 HD11 ' A' 1896 ' ' LEU . 97.8 t -66.5 -46.84 85.46 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.2 0 N-CA-C 108.368 -0.975 . . . . 0.0 108.368 168.171 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1965 ' ' LEU . . . . . 0.691 HD12 ' HA ' ' A' 1962 ' ' SER . 51.1 mt -52.87 -47.57 67.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.135 -0.939 . . . . 0.0 110.391 177.656 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1966 ' ' ALA . . . . . . . . . . . . . . . -68.86 -43.67 74.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.887 -179.243 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1967 ' ' ALA . . . . . . . . . . . . . . . -57.46 -42.49 82.65 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-O 121.006 0.431 . . . . 0.0 111.071 -179.07 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1968 ' ' LEU . . . . . 0.981 ' HB3' ' HG3' ' A' 1854 ' ' GLN . 4.3 mm? -73.42 -41.15 63.63 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.882 179.015 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1969 ' ' GLN . . . . . . . . . . . . . 46.5 mt-30 . . . . . 0 C--N 1.33 -0.267 0 N-CA-C 111.704 0.261 . . . . 0.0 111.704 -178.645 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A 1850 ' ' PHE . . . . . 0.404 ' CZ ' HG21 ' A' 1912 ' ' ILE . 87.2 t80 . . . . . 0 N--CA 1.454 -0.231 0 CA-C-O 121.196 0.522 . . . . 0.0 110.157 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1851 ' ' VAL . . . . . . . . . . . . . 23.6 m -60.09 -31.24 47.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.183 178.701 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1852 ' ' ASP . . . . . . . . . . . . . 20.4 t70 -74.08 -45.82 46.87 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.187 0.518 . . . . 0.0 110.008 -179.733 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1853 ' ' TYR . . . . . 0.565 ' CE1' ' HB2' ' A' 1902 ' ' PRO . 59.7 m-85 -69.56 -24.1 63.66 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.452 -0.794 . . . . 0.0 110.58 -179.765 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1854 ' ' GLN . . . . . 0.949 ' HG3' ' HB3' ' A' 1968 ' ' LEU . 44.5 tt0 -73.4 -55.45 6.36 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.289 174.13 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1855 ' ' THR . . . . . 0.405 ' HA ' HG22 ' A' 1858 ' ' VAL . 39.4 m -59.01 -38.71 79.86 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.03 -0.532 . . . . 0.0 112.046 -175.878 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1856 ' ' THR . . . . . 0.454 HG23 ' N ' ' A' 1857 ' ' MET . 9.7 t -58.62 -50.45 73.77 Favored 'General case' 0 CA--C 1.537 0.449 0 N-CA-C 111.872 0.323 . . . . 0.0 111.872 -176.342 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1857 ' ' MET . . . . . 0.626 ' SD ' HD21 ' A' 1968 ' ' LEU . 6.4 ptp -81.8 -31.11 31.95 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 112.156 0.428 . . . . 0.0 112.156 -174.833 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1858 ' ' VAL . . . . . 0.464 HG13 ' O ' ' A' 1854 ' ' GLN . 23.4 m -66.78 -36.34 76.96 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.178 0 C-N-CA 119.938 -0.705 . . . . 0.0 110.181 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1859 ' ' ARG . . . . . 0.548 ' HA ' ' HD2' ' A' 1862 ' ' LYS . 6.3 mpt_? -62.22 -42.38 99.25 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-O 121.254 0.55 . . . . 0.0 110.169 172.572 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1860 ' ' THR . . . . . . . . . . . . . 31.6 m -66.93 -40.6 87.66 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.365 -0.834 . . . . 0.0 111.138 -179.042 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1861 ' ' ALA . . . . . . . . . . . . . . . -60.59 -38.61 85.2 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.839 0.352 . . . . 0.0 110.777 178.68 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1862 ' ' LYS . . . . . 0.548 ' HD2' ' HA ' ' A' 1859 ' ' ARG . 40.8 mttm -62.91 -42.65 99.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.28 176.747 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1863 ' ' ALA . . . . . . . . . . . . . . . -66.98 -37.29 83.97 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.774 -179.79 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1864 ' ' ILE . . . . . . . . . . . . . 80.1 mt -64.21 -45.44 96.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.141 175.117 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1865 ' ' ALA . . . . . 0.82 ' HB2' HG21 ' A' 1961 ' ' VAL . . . -59.64 -44.47 93.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.059 -0.519 . . . . 0.0 112.074 -178.768 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1866 ' ' VAL . . . . . 0.611 ' HA ' ' HG2' ' A' 1869 ' ' GLN . 12.5 p -71.59 -33.64 49.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 C-N-CA 120.354 -0.539 . . . . 0.0 110.421 179.3 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1867 ' ' THR . . . . . 0.672 ' O ' ' HG3' ' A' 1871 ' ' MET . 90.0 m -62.68 -51.48 67.07 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.553 0.216 . . . . 0.0 110.472 177.07 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1868 ' ' VAL . . . . . 0.53 ' HA ' ' SD ' ' A' 1871 ' ' MET . 30.6 m -64.17 -31.64 54.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.077 -177.344 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1869 ' ' GLN . . . . . 0.611 ' HG2' ' HA ' ' A' 1866 ' ' VAL . 7.6 pt20 -76.95 -30.22 55.95 Favored 'General case' 0 N--CA 1.453 -0.286 0 C-N-CA 120.485 -0.486 . . . . 0.0 110.174 179.043 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1870 ' ' GLU . . . . . 0.471 ' HG3' ' O ' ' A' 1866 ' ' VAL . 47.6 mt-10 -63.27 -39.0 93.35 Favored 'General case' 0 C--O 1.223 -0.296 0 N-CA-C 109.556 -0.535 . . . . 0.0 109.556 172.404 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1871 ' ' MET . . . . . 0.672 ' HG3' ' O ' ' A' 1867 ' ' THR . 39.2 mtp -59.46 -41.16 89.07 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.813 -179.779 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1872 ' ' VAL . . . . . 1.1 ' HB ' HG13 ' A' 1951 ' ' ILE . 1.5 m -73.99 -28.27 23.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 121.361 0.6 . . . . 0.0 110.596 179.589 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1873 ' ' THR . . . . . . . . . . . . . 38.7 m -77.25 -46.11 24.19 Favored 'General case' 0 N--CA 1.443 -0.818 0 CA-C-N 115.467 -0.788 . . . . 0.0 110.702 -179.352 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1874 ' ' LYS . . . . . 0.489 ' HG3' HD11 ' A' 1885 ' ' LEU . 70.4 mmtt -65.15 -46.26 81.61 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.791 -0.64 . . . . 0.0 111.159 -178.425 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1875 ' ' SER . . . . . 0.553 ' HB3' HD11 ' A' 1882 ' ' LEU . 7.9 p -55.13 -20.03 9.11 Favored 'General case' 0 N--CA 1.467 0.417 0 N-CA-C 113.28 0.844 . . . . 0.0 113.28 -171.705 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1876 ' ' ASN . . . . . . . . . . . . . 93.1 m-20 -66.36 -36.79 83.78 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.746 0.308 . . . . 0.0 111.296 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1877 ' ' THR . . . . . . . . . . . . . 81.2 p -121.24 -31.14 4.17 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.412 0.625 . . . . 0.0 111.322 -179.499 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1878 ' ' SER . . . . . . . . . . . . . 22.7 m -126.01 101.43 29.09 Favored Pre-proline 0 C--N 1.319 -0.734 0 CA-C-N 115.479 -0.782 . . . . 0.0 111.044 -170.801 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1879 ' ' PRO . . . . . 0.778 ' HA ' HD12 ' A' 1882 ' ' LEU . 64.3 Cg_endo -84.05 -28.03 1.36 Allowed 'Trans proline' 0 N--CA 1.446 -1.28 0 C-N-CA 121.316 1.344 . . . . 0.0 111.738 175.657 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1880 ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -68.43 -29.83 68.57 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.763 178.501 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1881 ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -61.79 -13.91 28.01 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.435 178.308 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1882 ' ' LEU . . . . . 0.778 HD12 ' HA ' ' A' 1879 ' ' PRO . 0.8 OUTLIER -86.26 -7.13 58.75 Favored 'General case' 0 N--CA 1.438 -1.048 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.492 -175.458 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A 1883 ' ' GLY . . . . . 0.408 ' N ' ' HD2' ' A' 1884 ' ' PRO . . . -66.15 -60.35 6.48 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.677 -0.773 . . . . 0.0 111.844 175.44 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1884 ' ' PRO . . . . . 0.408 ' HD2' ' N ' ' A' 1883 ' ' GLY . 18.5 Cg_endo -60.09 -32.98 95.47 Favored 'Trans proline' 0 C--N 1.348 0.501 0 C-N-CA 122.644 2.23 . . . . 0.0 112.206 176.563 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1885 ' ' LEU . . . . . 0.489 HD11 ' HG3' ' A' 1874 ' ' LYS . 73.1 mt -69.77 -40.06 76.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.654 -179.094 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1886 ' ' ALA . . . . . . . . . . . . . . . -63.43 -44.93 93.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.104 0.478 . . . . 0.0 110.26 177.947 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1887 ' ' ASN . . . . . . . . . . . . . 58.9 t30 -63.16 -38.33 90.75 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.694 -0.685 . . . . 0.0 110.098 176.504 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1888 ' ' GLN . . . . . 0.427 ' HG3' HG21 ' A' 1867 ' ' THR . 30.9 tp60 -63.19 -48.22 79.26 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.895 179.275 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1889 ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -57.2 -44.53 83.75 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.397 0.618 . . . . 0.0 109.407 177.151 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1890 ' ' THR . . . . . . . . . . . . . 57.2 m -60.52 -47.68 85.09 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.24 -0.891 . . . . 0.0 111.462 -179.264 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1891 ' ' SER . . . . . . . . . . . . . 33.1 m -66.79 -43.78 83.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.694 0.283 . . . . 0.0 111.462 -177.726 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1892 ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -69.05 -40.48 78.51 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.643 -0.253 . . . . 0.0 111.474 -177.168 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1893 ' ' TYR . . . . . . . . . . . . . 51.8 t80 -58.5 -33.27 69.62 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-O 120.908 0.385 . . . . 0.0 110.558 176.351 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1894 ' ' GLY . . . . . . . . . . . . . . . -59.6 -30.26 68.41 Favored Glycine 0 N--CA 1.45 -0.43 0 C-N-CA 121.097 -0.573 . . . . 0.0 112.171 178.639 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1895 ' ' ARG . . . . . . . . . . . . . 35.7 ttt180 -78.43 -39.67 38.1 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.042 0.449 . . . . 0.0 110.31 178.282 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1896 ' ' LEU . . . . . 0.452 HD12 ' HB2' ' A' 1857 ' ' MET . 59.5 tp -61.42 -49.15 78.02 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.891 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1897 ' ' ALA . . . . . . . . . . . . . . . -69.95 -25.05 63.46 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.782 -176.099 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1898 ' ' SER . . . . . . . . . . . . . 11.3 p -82.1 -46.44 13.85 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.918 0.39 . . . . 0.0 110.162 -176.827 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1899 ' ' GLN . . . . . . . . . . . . . 22.9 mm-40 -70.56 -11.6 61.03 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.897 179.671 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1900 ' ' ALA . . . . . 0.537 ' HA ' ' HE3' ' A' 1857 ' ' MET . . . -67.74 -28.56 67.74 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.864 176.68 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1901 ' ' LYS . . . . . 0.418 ' HB3' ' CD ' ' A' 1902 ' ' PRO . 22.3 tptm -71.92 -57.69 3.84 Favored Pre-proline 0 CA--C 1.537 0.466 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.362 -177.69 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1902 ' ' PRO . . . . . 0.596 ' HA ' HG22 ' A' 1905 ' ' VAL . 29.9 Cg_endo -64.08 -24.38 66.53 Favored 'Trans proline' 0 C--N 1.356 0.932 0 C-N-CA 121.774 1.649 . . . . 0.0 112.164 178.097 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1903 ' ' ALA . . . . . . . . . . . . . . . -71.18 -38.2 72.14 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.884 0.373 . . . . 0.0 110.77 177.117 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1904 ' ' ALA . . . . . . . . . . . . . . . -75.21 -31.35 60.86 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.839 -176.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1905 ' ' VAL . . . . . 0.596 HG22 ' HA ' ' A' 1902 ' ' PRO . 22.7 m -84.71 -17.99 9.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.506 -178.225 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1906 ' ' ALA . . . . . . . . . . . . . . . -102.62 0.35 33.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.614 0.245 . . . . 0.0 110.687 177.424 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1907 ' ' ALA . . . . . . . . . . . . . . . -64.78 135.93 56.34 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.571 179.516 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1908 ' ' GLU . . . . . 0.537 ' OE1' HD12 ' A' 1912 ' ' ILE . 0.0 OUTLIER -89.35 -29.14 19.34 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 121.081 0.467 . . . . 0.0 110.889 -177.252 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A 1909 ' ' ASN . . . . . . . . . . . . . 12.4 m120 -97.63 166.36 11.54 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.201 0.524 . . . . 0.0 111.524 179.047 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1910 ' ' GLU . . . . . . . . . . . . . 12.1 tp10 -72.42 -53.88 10.94 Favored 'General case' 0 CA--C 1.513 -0.472 0 CA-C-N 115.423 -0.808 . . . . 0.0 110.551 -179.704 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1911 ' ' GLU . . . . . 0.488 ' HB3' ' CD2' ' A' 1915 ' ' HIS . 1.8 mt-10 -72.69 -33.91 66.81 Favored 'General case' 0 N--CA 1.442 -0.827 0 CA-C-N 114.782 -1.099 . . . . 0.0 112.174 -169.414 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1912 ' ' ILE . . . . . 0.576 ' O ' HG13 ' A' 1916 ' ' ILE . 48.7 mt -57.1 -53.71 39.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 C-N-CA 120.702 -0.399 . . . . 0.0 110.66 -178.148 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1913 ' ' GLY . . . . . . . . . . . . . . . -62.08 -32.33 81.93 Favored Glycine 0 N--CA 1.453 -0.227 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.241 179.596 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1914 ' ' ALA . . . . . . . . . . . . . . . -73.55 -44.23 57.97 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.931 0.395 . . . . 0.0 110.757 179.451 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1915 ' ' HIS . . . . . 0.494 ' O ' ' HG2' ' A' 1919 ' ' ARG . 78.3 m-70 -68.02 -37.86 81.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.355 -177.256 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1916 ' ' ILE . . . . . 0.576 HG13 ' O ' ' A' 1912 ' ' ILE . 89.2 mt -51.41 -58.06 2.51 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.161 0 O-C-N 123.363 0.414 . . . . 0.0 111.272 179.823 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1917 ' ' LYS . . . . . . . . . . . . . 52.7 mtmt -69.37 -24.22 63.85 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.505 -176.255 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1918 ' ' HIS . . . . . 0.412 ' O ' ' HG3' ' A' 1922 ' ' GLU . 5.8 m80 -69.35 -52.76 24.04 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.744 0.307 . . . . 0.0 110.83 175.04 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1919 ' ' ARG . . . . . 0.494 ' HG2' ' O ' ' A' 1915 ' ' HIS . 26.3 mmt180 -68.76 -39.06 80.44 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.099 -0.501 . . . . 0.0 112.033 -171.872 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1920 ' ' VAL . . . . . . . . . . . . . 30.6 m -64.75 -29.2 46.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.924 0.392 . . . . 0.0 110.494 179.078 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1921 ' ' GLN . . . . . . . . . . . . . 33.3 tt0 -71.28 -42.77 68.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.309 0.576 . . . . 0.0 110.488 178.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1922 ' ' GLU . . . . . 0.412 ' HG3' ' O ' ' A' 1918 ' ' HIS . 37.7 mt-10 -72.34 -31.33 65.54 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.708 0.766 . . . . 0.0 108.996 -176.551 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1923 ' ' LEU . . . . . 0.639 ' HG ' ' HB3' ' A' 1960 ' ' LYS . 0.7 OUTLIER -69.61 -47.66 62.7 Favored 'General case' 0 N--CA 1.446 -0.635 0 CA-C-N 114.667 -1.151 . . . . 0.0 109.781 176.679 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A 1924 ' ' GLY . . . . . . . . . . . . . . . -61.01 -39.93 97.77 Favored Glycine 0 N--CA 1.451 -0.336 0 CA-C-N 115.785 -0.643 . . . . 0.0 113.326 -177.714 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1925 ' ' HIS . . . . . . . . . . . . . 20.6 m-70 -62.43 -31.35 72.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.862 0.363 . . . . 0.0 110.816 178.555 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1926 ' ' GLY . . . . . 0.523 ' HA3' HG12 ' A' 1957 ' ' VAL . . . -77.01 -34.68 41.29 Favored Glycine 0 N--CA 1.448 -0.504 0 C-N-CA 120.543 -0.837 . . . . 0.0 111.633 175.187 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1927 ' ' CYS . . . . . . . . . . . . . 64.0 m -63.81 -47.37 81.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.729 0.3 . . . . 0.0 110.683 178.534 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1928 ' ' SER . . . . . . . . . . . . . 5.5 p -60.96 -37.32 81.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.063 -178.906 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1929 ' ' ALA . . . . . . . . . . . . . . . -69.13 -42.89 75.42 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.046 0.451 . . . . 0.0 110.54 176.47 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1930 ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -63.45 -49.63 72.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.276 -177.593 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1931 ' ' VAL . . . . . . . . . . . . . 27.8 m -61.95 -27.13 41.75 Favored 'Isoleucine or valine' 0 C--O 1.234 0.282 0 CA-C-O 120.822 0.344 . . . . 0.0 111.22 -178.096 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1932 ' ' THR . . . . . . . . . . . . . 55.7 m -70.96 -46.31 62.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.456 176.362 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1933 ' ' LYS . . . . . . . . . . . . . 33.7 mmtp -71.64 -30.72 66.07 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.363 -0.381 . . . . 0.0 111.224 -178.391 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1934 ' ' ALA . . . . . 0.42 ' HB1' ' HB3' ' A' 1882 ' ' LEU . . . -59.46 -53.61 56.11 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.99 0.424 . . . . 0.0 111.372 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1935 ' ' GLY . . . . . . . . . . . . . . . -70.74 -25.17 76.19 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 121.149 -0.548 . . . . 0.0 112.039 178.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1936 ' ' ALA . . . . . . . . . . . . . . . -75.0 -39.02 61.44 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.668 0.27 . . . . 0.0 110.747 179.393 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1937 ' ' LEU . . . . . 0.417 ' HB2' HG22 ' A' 1946 ' ' THR . 61.2 tp -66.01 -37.82 86.89 Favored 'General case' 0 CA--C 1.517 -0.317 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.066 -179.748 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1938 ' ' GLN . . . . . 0.699 ' HA ' ' HB2' ' A' 1879 ' ' PRO . 3.1 pt20 -73.66 -25.08 60.09 Favored 'General case' 0 C--N 1.322 -0.589 0 C-N-CA 119.782 -0.767 . . . . 0.0 110.526 178.021 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1939 ' ' CYS . . . . . . . . . . . . . 16.6 t -82.39 -11.43 58.56 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.152 0.501 . . . . 0.0 110.228 176.046 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1940 ' ' SER . . . . . . . . . . . . . 48.2 m -146.73 71.83 12.59 Favored Pre-proline 0 C--N 1.326 -0.436 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.675 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1941 ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -77.26 -6.41 16.45 Favored 'Trans proline' 0 C--N 1.344 0.328 0 C-N-CA 122.508 2.138 . . . . 0.0 112.842 -174.597 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1942 ' ' SER . . . . . . . . . . . . . 33.3 t -91.99 2.18 56.71 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.939 0.399 . . . . 0.0 110.447 -179.35 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1943 ' ' ASP . . . . . . . . . . . . . 17.3 t70 -109.14 106.36 16.21 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.307 179.63 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1944 ' ' VAL . . . . . 0.482 ' O ' ' HG2' ' A' 1948 ' ' LYS . 10.8 p -71.93 -25.9 24.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.895 -176.752 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1945 ' ' TYR . . . . . . . . . . . . . 89.7 m-85 -68.58 -38.05 80.38 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.733 -176.568 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1946 ' ' THR . . . . . 0.417 HG22 ' HB2' ' A' 1937 ' ' LEU . 92.1 m -59.28 -38.22 79.62 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.352 174.589 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1947 ' ' LYS . . . . . 0.494 ' HG3' ' HB2' ' A' 1875 ' ' SER . 15.1 ttpp -68.65 -43.55 76.03 Favored 'General case' 0 N--CA 1.453 -0.283 0 CA-C-N 116.079 -0.509 . . . . 0.0 109.829 176.863 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1948 ' ' LYS . . . . . 0.59 ' O ' ' HG2' ' A' 1952 ' ' GLU . 7.7 mmpt? -53.9 -53.05 58.07 Favored 'General case' 0 C--N 1.332 -0.152 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.535 -179.79 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1949 ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -57.86 -37.67 74.32 Favored 'General case' 0 N--CA 1.464 0.26 0 O-C-N 123.47 0.481 . . . . 0.0 111.179 -179.018 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1950 ' ' LEU . . . . . 0.741 HD11 HD22 ' A' 1882 ' ' LEU . 7.7 tt -60.53 -49.69 76.52 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.529 -178.025 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1951 ' ' ILE . . . . . 1.1 HG13 ' HB ' ' A' 1872 ' ' VAL . 2.0 mp -64.31 -41.43 92.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.301 177.512 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1952 ' ' GLU . . . . . 0.59 ' HG2' ' O ' ' A' 1948 ' ' LYS . 32.1 mm-40 -62.38 -36.59 82.76 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.057 -179.027 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1953 ' ' CYS . . . . . . . . . . . . . 36.3 t -75.43 -42.9 52.31 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.524 -0.307 . . . . 0.0 111.005 -178.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1954 ' ' ALA . . . . . . . . . . . . . . . -61.04 -39.72 90.9 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.71 -176.552 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1955 ' ' ARG . . . . . 0.565 ' HE ' ' HA ' ' A' 1952 ' ' GLU . 8.9 ptp180 -63.06 -30.91 71.97 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.842 0.353 . . . . 0.0 110.497 -179.896 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1956 ' ' ARG . . . . . 0.485 ' HG3' ' O ' ' A' 1952 ' ' GLU . 81.2 mtp180 -80.0 -37.08 34.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.368 -175.69 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1957 ' ' VAL . . . . . 0.523 HG12 ' HA3' ' A' 1926 ' ' GLY . 10.5 m -71.8 -29.69 34.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 C-N-CA 120.586 -0.446 . . . . 0.0 110.138 179.394 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1958 ' ' SER . . . . . 0.719 ' O ' HG22 ' A' 1961 ' ' VAL . 39.4 t -66.81 -24.08 66.13 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.318 177.689 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1959 ' ' GLU . . . . . 0.449 ' OE1' ' HA ' ' A' 1956 ' ' ARG . 42.4 mt-10 -68.0 -41.14 82.7 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.427 -0.583 . . . . 0.0 109.427 173.632 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1960 ' ' LYS . . . . . 0.639 ' HB3' ' HG ' ' A' 1923 ' ' LEU . 1.5 mppt? -66.48 -32.31 73.59 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.512 -0.767 . . . . 0.0 111.288 -179.502 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1961 ' ' VAL . . . . . 0.82 HG21 ' HB2' ' A' 1865 ' ' ALA . 2.3 m -63.38 -35.01 70.62 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.142 0 CA-C-O 120.992 0.425 . . . . 0.0 109.882 178.596 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1962 ' ' SER . . . . . 0.515 ' HA ' HD12 ' A' 1965 ' ' LEU . 10.4 t -76.85 -26.87 54.78 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-N 116.018 -0.537 . . . . 0.0 109.709 179.123 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1963 ' ' HIS . . . . . . . . . . . . . 66.6 m170 -72.94 -30.0 63.53 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.042 178.881 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1964 ' ' VAL . . . . . 0.632 ' O ' HD23 ' A' 1968 ' ' LEU . 64.3 t -67.53 -47.59 79.92 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.201 0 N-CA-C 109.119 -0.697 . . . . 0.0 109.119 171.169 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1965 ' ' LEU . . . . . 0.569 ' HG ' ' O ' ' A' 1961 ' ' VAL . 84.5 mt -53.29 -54.76 31.69 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.949 179.436 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1966 ' ' ALA . . . . . . . . . . . . . . . -62.48 -33.63 75.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.91 -177.516 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1967 ' ' ALA . . . . . . . . . . . . . . . -66.53 -45.49 79.29 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.198 -178.855 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1968 ' ' LEU . . . . . 0.949 ' HB3' ' HG3' ' A' 1854 ' ' GLN . 3.8 mm? -73.1 -30.77 63.89 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.896 -178.426 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1969 ' ' GLN . . . . . . . . . . . . . 73.8 mt-30 . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.969 -175.915 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A 1850 ' ' PHE . . . . . 0.538 ' HB2' ' O ' ' A' 1906 ' ' ALA . 76.4 t80 . . . . . 0 N--CA 1.457 -0.079 0 CA-C-O 120.734 0.302 . . . . 0.0 110.987 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1851 ' ' VAL . . . . . . . . . . . . . 6.2 m -57.69 -32.8 43.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.302 -178.718 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1852 ' ' ASP . . . . . . . . . . . . . 21.8 t70 -76.33 -48.87 18.51 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.5 -178.314 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1853 ' ' TYR . . . . . 0.465 ' HB3' ' HB2' ' A' 1903 ' ' ALA . 56.4 m-85 -66.81 -33.54 75.83 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.593 -178.816 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1854 ' ' GLN . . . . . 0.554 ' HA ' HD12 ' A' 1968 ' ' LEU . 29.5 tt0 -58.63 -59.86 4.73 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.159 173.499 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1855 ' ' THR . . . . . 0.587 ' O ' ' HG2' ' A' 1859 ' ' ARG . 25.3 m -62.51 -37.88 87.76 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.528 -0.76 . . . . 0.0 112.126 -173.678 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1856 ' ' THR . . . . . 0.452 HG23 ' N ' ' A' 1857 ' ' MET . 14.5 t -66.16 -49.53 67.08 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 111.923 0.342 . . . . 0.0 111.923 -174.358 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1857 ' ' MET . . . . . 0.674 ' HB2' HD12 ' A' 1896 ' ' LEU . 1.1 ptp -82.35 -22.77 35.38 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 120.594 -0.443 . . . . 0.0 111.567 -171.759 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1858 ' ' VAL . . . . . 0.405 HG13 ' O ' ' A' 1854 ' ' GLN . 34.2 m -70.76 -30.41 41.89 Favored 'Isoleucine or valine' 0 CA--C 1.523 -0.062 0 C-N-CA 120.001 -0.679 . . . . 0.0 109.818 175.591 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1859 ' ' ARG . . . . . 0.587 ' HG2' ' O ' ' A' 1855 ' ' THR . 38.7 mmt180 -61.72 -44.12 97.54 Favored 'General case' 0 CA--C 1.516 -0.332 0 N-CA-C 109.122 -0.696 . . . . 0.0 109.122 172.122 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1860 ' ' THR . . . . . 0.425 ' O ' HG13 ' A' 1864 ' ' ILE . 5.7 m -62.52 -41.43 98.85 Favored 'General case' 0 N--CA 1.449 -0.515 0 CA-C-N 115.15 -0.932 . . . . 0.0 110.843 -179.836 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1861 ' ' ALA . . . . . . . . . . . . . . . -62.41 -46.05 90.32 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.895 0.379 . . . . 0.0 110.82 178.621 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1862 ' ' LYS . . . . . 0.405 ' HE2' HD22 ' A' 1965 ' ' LEU . 46.4 mttm -64.53 -36.07 83.02 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.508 177.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1863 ' ' ALA . . . . . . . . . . . . . . . -70.45 -37.1 74.27 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.807 178.616 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1864 ' ' ILE . . . . . 0.634 ' O ' HG13 ' A' 1868 ' ' VAL . 63.7 mt -65.66 -42.18 92.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 N-CA-C 110.134 -0.321 . . . . 0.0 110.134 175.148 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1865 ' ' ALA . . . . . 0.806 ' HB2' HG21 ' A' 1961 ' ' VAL . . . -54.69 -48.94 71.81 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.757 -179.073 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1866 ' ' VAL . . . . . . . . . . . . . 10.3 p -64.85 -34.15 68.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 C-N-CA 120.71 -0.396 . . . . 0.0 110.744 -179.621 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1867 ' ' THR . . . . . 0.479 ' O ' ' HG3' ' A' 1871 ' ' MET . 11.9 m -66.18 -49.49 67.17 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.81 -0.177 . . . . 0.0 110.867 178.602 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1868 ' ' VAL . . . . . 0.634 HG13 ' O ' ' A' 1864 ' ' ILE . 3.1 m -65.2 -32.77 59.73 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.287 0 CA-C-O 121.488 0.661 . . . . 0.0 110.554 -178.616 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1869 ' ' GLN . . . . . . . . . . . . . 46.0 tp60 -77.63 -34.91 53.14 Favored 'General case' 0 N--CA 1.427 -1.576 0 CA-C-N 115.278 -0.874 . . . . 0.0 110.261 -177.849 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1870 ' ' GLU . . . . . . . . . . . . . 32.5 mm-40 -71.97 -31.09 65.94 Favored 'General case' 0 C--O 1.22 -0.472 0 CA-C-N 116.544 -0.298 . . . . 0.0 110.816 172.914 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1871 ' ' MET . . . . . 0.479 ' HG3' ' O ' ' A' 1867 ' ' THR . 7.6 mtt -55.23 -48.99 73.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.699 0.285 . . . . 0.0 110.926 177.268 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1872 ' ' VAL . . . . . 0.6 HG12 ' HA ' ' A' 1951 ' ' ILE . 32.9 m -72.88 -28.96 28.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.98 0.419 . . . . 0.0 111.092 179.809 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1873 ' ' THR . . . . . . . . . . . . . 85.6 m -71.17 -43.64 67.08 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.574 177.454 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1874 ' ' LYS . . . . . . . . . . . . . 75.2 mmtt -71.04 -47.51 58.16 Favored 'General case' 0 C--O 1.22 -0.469 0 CA-C-N 116.044 -0.526 . . . . 0.0 111.142 -178.783 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1875 ' ' SER . . . . . 0.427 ' HB3' HD11 ' A' 1882 ' ' LEU . 11.2 p -54.68 -22.08 12.67 Favored 'General case' 0 N--CA 1.466 0.341 0 N-CA-C 113.006 0.743 . . . . 0.0 113.006 -172.638 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1876 ' ' ASN . . . . . . . . . . . . . 94.0 m-20 -70.56 -23.55 62.63 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 111.8 0.296 . . . . 0.0 111.8 -179.781 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1877 ' ' THR . . . . . . . . . . . . . 46.9 p -132.38 -25.8 1.92 Allowed 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 112.317 0.488 . . . . 0.0 112.317 179.571 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1878 ' ' SER . . . . . . . . . . . . . 25.9 m -136.75 107.29 9.04 Favored Pre-proline 0 C--N 1.321 -0.655 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.56 -169.86 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1879 ' ' PRO . . . . . 0.926 ' HG3' ' HB3' ' A' 1941 ' ' PRO . 26.1 Cg_endo -90.39 -7.79 4.07 Favored 'Trans proline' 0 N--CA 1.446 -1.299 0 C-N-CA 122.145 1.897 . . . . 0.0 111.72 172.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1880 ' ' GLU . . . . . . . . . . . . . 28.2 mm-40 -78.35 -36.06 46.67 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.67 179.343 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1881 ' ' GLU . . . . . . . . . . . . . 49.0 mm-40 -67.37 -14.86 63.31 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-O 121.247 0.546 . . . . 0.0 110.827 -179.524 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1882 ' ' LEU . . . . . 0.916 HD12 ' HA ' ' A' 1879 ' ' PRO . 1.1 mt -79.41 -10.66 59.85 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.668 -0.697 . . . . 0.0 112.298 -174.41 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1883 ' ' GLY . . . . . . . . . . . . . . . -65.75 -61.57 5.48 Favored Glycine 0 N--CA 1.453 -0.214 0 C-N-CA 120.43 -0.891 . . . . 0.0 112.131 176.522 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1884 ' ' PRO . . . . . 0.432 ' O ' ' HB2' ' A' 1888 ' ' GLN . 14.0 Cg_endo -59.01 -38.7 86.38 Favored 'Trans proline' 0 N--CA 1.462 -0.351 0 C-N-CA 122.413 2.075 . . . . 0.0 112.095 175.831 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1885 ' ' LEU . . . . . . . . . . . . . 81.0 mt -61.71 -43.69 98.36 Favored 'General case' 0 N--CA 1.463 0.2 0 N-CA-C 111.688 0.255 . . . . 0.0 111.688 -178.597 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1886 ' ' ALA . . . . . . . . . . . . . . . -63.42 -48.41 77.92 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.895 0.379 . . . . 0.0 110.951 -179.001 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1887 ' ' ASN . . . . . . . . . . . . . 94.1 m-20 -68.02 -30.59 69.87 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.217 -179.872 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1888 ' ' GLN . . . . . 0.432 ' HB2' ' O ' ' A' 1884 ' ' PRO . 0.9 OUTLIER -63.61 -56.17 17.97 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.637 -0.71 . . . . 0.0 109.994 178.515 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A 1889 ' ' LEU . . . . . 0.551 HD11 HG12 ' A' 1868 ' ' VAL . 1.1 tt -53.32 -43.05 67.32 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.143 -0.935 . . . . 0.0 109.596 178.644 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1890 ' ' THR . . . . . . . . . . . . . 40.7 m -60.18 -44.22 95.24 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.453 -0.794 . . . . 0.0 111.059 179.203 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1891 ' ' SER . . . . . . . . . . . . . 35.9 m -67.13 -44.65 79.33 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.154 -178.434 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1892 ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -64.63 -44.35 90.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.211 -179.343 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1893 ' ' TYR . . . . . . . . . . . . . 41.0 t80 -57.42 -41.37 80.26 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-O 120.613 0.245 . . . . 0.0 110.679 177.554 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1894 ' ' GLY . . . . . . . . . . . . . . . -56.5 -38.82 82.41 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 121.087 -0.578 . . . . 0.0 112.3 178.268 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1895 ' ' ARG . . . . . . . . . . . . . 74.6 ttt180 -71.84 -47.4 53.39 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.089 0.471 . . . . 0.0 110.185 176.54 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1896 ' ' LEU . . . . . 0.674 HD12 ' HB2' ' A' 1857 ' ' MET . 60.1 tp -55.43 -55.54 30.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.564 -0.744 . . . . 0.0 111.8 -177.705 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1897 ' ' ALA . . . . . . . . . . . . . . . -64.06 -24.29 67.65 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.812 -175.69 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1898 ' ' SER . . . . . . . . . . . . . 50.6 m -82.6 -32.85 28.2 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.128 0.489 . . . . 0.0 110.196 -177.272 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1899 ' ' GLN . . . . . 0.406 HE21 ' HB2' ' A' 1899 ' ' GLN . 15.6 mt-30 -73.96 -9.47 58.67 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.502 -0.772 . . . . 0.0 110.551 178.615 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1900 ' ' ALA . . . . . . . . . . . . . . . -71.82 -32.7 67.83 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.32 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1901 ' ' LYS . . . . . 0.419 ' N ' ' HD2' ' A' 1902 ' ' PRO . 21.8 tptm -67.84 -56.66 11.18 Favored Pre-proline 0 CA--C 1.537 0.464 0 C-N-CA 120.864 -0.334 . . . . 0.0 111.491 -177.62 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1902 ' ' PRO . . . . . 0.464 ' HB2' ' CE1' ' A' 1853 ' ' TYR . 28.5 Cg_endo -63.24 -25.76 72.13 Favored 'Trans proline' 0 C--N 1.354 0.825 0 C-N-CA 122.001 1.801 . . . . 0.0 112.353 179.62 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1903 ' ' ALA . . . . . 0.465 ' HB2' ' HB3' ' A' 1853 ' ' TYR . . . -74.47 -29.92 61.64 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.966 0.412 . . . . 0.0 110.688 178.101 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1904 ' ' ALA . . . . . . . . . . . . . . . -76.21 -28.22 57.12 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.777 -177.612 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1905 ' ' VAL . . . . . 0.411 HG22 ' HA ' ' A' 1902 ' ' PRO . 34.4 m -92.22 -3.88 10.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.552 178.645 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1906 ' ' ALA . . . . . 0.538 ' O ' ' HB2' ' A' 1850 ' ' PHE . . . -111.25 9.55 21.73 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.234 177.082 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1907 ' ' ALA . . . . . . . . . . . . . . . -64.48 135.12 55.74 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.438 -0.801 . . . . 0.0 111.828 -176.232 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1908 ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -73.4 -27.22 61.34 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.571 -0.741 . . . . 0.0 110.271 177.425 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1909 ' ' ASN . . . . . 0.418 ' HB2' ' CD1' ' A' 1912 ' ' ILE . 85.9 m-20 -137.56 159.02 43.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.012 -179.565 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1910 ' ' GLU . . . . . . . . . . . . . 27.3 tt0 -55.96 -53.67 54.1 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 123.701 0.626 . . . . 0.0 111.693 -177.666 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1911 ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -62.91 -39.08 93.45 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.72 -0.673 . . . . 0.0 111.46 -174.904 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1912 ' ' ILE . . . . . 0.627 ' O ' HG13 ' A' 1916 ' ' ILE . 80.6 mt -52.12 -53.4 18.64 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 O-C-N 123.308 0.38 . . . . 0.0 110.715 -178.886 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1913 ' ' GLY . . . . . 0.579 ' HA2' HD12 ' A' 1916 ' ' ILE . . . -65.55 -26.83 72.06 Favored Glycine 0 CA--C 1.517 0.208 0 C-N-CA 120.968 -0.635 . . . . 0.0 112.702 -179.085 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1914 ' ' ALA . . . . . . . . . . . . . . . -76.15 -42.25 47.34 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.737 0.303 . . . . 0.0 110.642 179.855 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1915 ' ' HIS . . . . . 0.585 ' O ' ' HG2' ' A' 1919 ' ' ARG . 96.1 m-70 -66.09 -36.4 83.08 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.841 -178.609 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1916 ' ' ILE . . . . . 0.627 HG13 ' O ' ' A' 1912 ' ' ILE . 89.9 mt -52.9 -57.21 4.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.01 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1917 ' ' LYS . . . . . 0.418 ' HA ' HG22 ' A' 1920 ' ' VAL . 9.5 mtmp? -68.66 -26.92 65.56 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.713 -179.351 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1918 ' ' HIS . . . . . . . . . . . . . 49.9 t-80 -63.98 -44.9 91.31 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.234 0.54 . . . . 0.0 110.009 177.588 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1919 ' ' ARG . . . . . 0.609 ' HD2' ' HB3' ' A' 1963 ' ' HIS . 21.7 mmt180 -76.74 -29.2 56.06 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.438 -0.801 . . . . 0.0 111.97 -172.422 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1920 ' ' VAL . . . . . 0.418 HG22 ' HA ' ' A' 1917 ' ' LYS . 24.6 m -78.84 -26.28 13.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 C-N-CA 120.337 -0.545 . . . . 0.0 110.439 177.262 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1921 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.37 -40.17 64.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.073 0.463 . . . . 0.0 110.188 179.406 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1922 ' ' GLU . . . . . 0.576 ' HG3' ' HG3' ' A' 1960 ' ' LYS . 10.9 pt-20 -72.43 -28.22 62.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 109.925 179.659 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1923 ' ' LEU . . . . . 1.018 ' HG ' ' HB3' ' A' 1960 ' ' LYS . 4.5 mt -71.51 -37.88 71.17 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.518 174.08 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1924 ' ' GLY . . . . . . . . . . . . . . . -54.53 -45.42 76.9 Favored Glycine 0 N--CA 1.453 -0.199 0 CA-C-N 116.15 -0.477 . . . . 0.0 113.008 -178.461 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1925 ' ' HIS . . . . . . . . . . . . . 33.3 m170 -62.39 -48.07 81.36 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.038 0.447 . . . . 0.0 110.458 179.27 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1926 ' ' GLY . . . . . 0.479 ' HA3' HG12 ' A' 1957 ' ' VAL . . . -68.12 -43.53 80.54 Favored Glycine 0 N--CA 1.448 -0.53 0 CA-C-N 115.756 -0.656 . . . . 0.0 112.934 -176.764 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1927 ' ' CYS . . . . . . . . . . . . . 82.4 m -61.81 -46.63 88.69 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.714 0.292 . . . . 0.0 111.049 -178.833 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1928 ' ' SER . . . . . . . . . . . . . 15.9 m -65.39 -36.85 85.21 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.776 -178.129 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1929 ' ' ALA . . . . . . . . . . . . . . . -70.19 -40.67 74.47 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.04 0.448 . . . . 0.0 110.482 177.185 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1930 ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -61.9 -51.82 66.61 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.631 -178.945 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1931 ' ' VAL . . . . . . . . . . . . . 31.7 m -63.15 -28.4 45.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.623 -0.262 . . . . 0.0 111.125 -177.683 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1932 ' ' THR . . . . . . . . . . . . . 91.8 m -65.12 -48.09 74.83 Favored 'General case' 0 N--CA 1.453 -0.3 0 N-CA-C 109.914 -0.402 . . . . 0.0 109.914 175.283 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1933 ' ' LYS . . . . . . . . . . . . . 74.0 mmtt -69.6 -35.54 75.41 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.919 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1934 ' ' ALA . . . . . . . . . . . . . . . -59.57 -50.15 75.0 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.601 176.369 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1935 ' ' GLY . . . . . . . . . . . . . . . -67.51 -35.43 86.72 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.816 -0.707 . . . . 0.0 112.028 177.911 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1936 ' ' ALA . . . . . . . . . . . . . . . -63.9 -46.39 85.07 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.552 0.215 . . . . 0.0 111.138 178.706 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1937 ' ' LEU . . . . . 0.413 ' N ' HG21 ' A' 1946 ' ' THR . 36.2 tp -69.05 -30.55 68.91 Favored 'General case' 0 CA--C 1.514 -0.406 0 CA-C-O 121.277 0.561 . . . . 0.0 109.851 178.295 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1938 ' ' GLN . . . . . . . . . . . . . 6.4 tt0 -60.51 -40.09 90.15 Favored 'General case' 0 N--CA 1.444 -0.749 0 CA-C-N 115.387 -0.824 . . . . 0.0 110.246 177.558 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1939 ' ' CYS . . . . . . . . . . . . . 86.3 m -79.61 -32.64 41.87 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.153 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1940 ' ' SER . . . . . . . . . . . . . 45.6 m -122.47 81.75 46.77 Favored Pre-proline 0 C--N 1.327 -0.386 0 CA-C-O 120.875 0.369 . . . . 0.0 110.692 178.042 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1941 ' ' PRO . . . . . 0.926 ' HB3' ' HG3' ' A' 1879 ' ' PRO . 23.3 Cg_exo -67.25 -22.32 46.67 Favored 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 123.332 2.688 . . . . 0.0 113.149 -174.317 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1942 ' ' SER . . . . . . . . . . . . . 44.7 m -99.09 11.66 38.38 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.236 -176.129 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1943 ' ' ASP . . . . . . . . . . . . . 19.3 t70 -98.33 107.39 19.84 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.935 0.397 . . . . 0.0 110.044 177.03 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1944 ' ' VAL . . . . . . . . . . . . . 10.6 p -72.64 -27.87 26.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.312 -175.505 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1945 ' ' TYR . . . . . . . . . . . . . 90.4 m-85 -64.76 -45.47 86.25 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.978 0.418 . . . . 0.0 110.35 -177.435 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1946 ' ' THR . . . . . 0.413 HG21 ' N ' ' A' 1937 ' ' LEU . 55.3 m -60.9 -40.62 93.8 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.622 176.252 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1947 ' ' LYS . . . . . . . . . . . . . 28.2 ttpt -64.67 -42.15 95.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.088 179.501 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1948 ' ' LYS . . . . . 0.569 ' HE2' ' HA ' ' A' 1948 ' ' LYS . 8.6 mmpt? -55.82 -50.56 70.2 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.856 179.278 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1949 ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 -58.43 -35.78 72.61 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.046 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1950 ' ' LEU . . . . . 0.406 HD21 ' HB3' ' A' 1871 ' ' MET . 6.8 tt -63.35 -51.87 64.16 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.105 179.641 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1951 ' ' ILE . . . . . 0.6 ' HA ' HG12 ' A' 1872 ' ' VAL . 1.8 mp -60.24 -45.43 96.17 Favored 'Isoleucine or valine' 0 C--O 1.235 0.32 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.849 179.892 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1952 ' ' GLU . . . . . 0.513 ' O ' ' HG3' ' A' 1956 ' ' ARG . 7.6 mm-40 -62.91 -35.83 81.37 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.403 -177.778 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1953 ' ' CYS . . . . . 0.427 ' O ' HG13 ' A' 1957 ' ' VAL . 16.5 t -77.01 -46.76 22.72 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.584 -0.28 . . . . 0.0 111.009 -177.149 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1954 ' ' ALA . . . . . . . . . . . . . . . -60.98 -40.07 92.03 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 112.173 0.435 . . . . 0.0 112.173 -174.812 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1955 ' ' ARG . . . . . 0.421 HH21 ' CD ' ' A' 1952 ' ' GLU . 47.0 ptt85 -67.93 -24.65 65.21 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 120.954 -0.298 . . . . 0.0 111.013 -179.058 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1956 ' ' ARG . . . . . 0.513 ' HG3' ' O ' ' A' 1952 ' ' GLU . 25.3 mtm180 -81.55 -40.06 23.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.827 0.346 . . . . 0.0 111.212 179.432 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1957 ' ' VAL . . . . . 0.479 HG12 ' HA3' ' A' 1926 ' ' GLY . 9.9 m -71.74 -23.65 22.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.601 -0.272 . . . . 0.0 111.019 -176.569 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1958 ' ' SER . . . . . 0.728 ' O ' HG22 ' A' 1961 ' ' VAL . 19.8 t -64.81 -23.77 67.34 Favored 'General case' 0 C--O 1.222 -0.383 0 CA-C-N 116.525 -0.307 . . . . 0.0 110.231 178.186 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1959 ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -69.8 -38.71 76.73 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.346 0.593 . . . . 0.0 109.653 174.633 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1960 ' ' LYS . . . . . 1.018 ' HB3' ' HG ' ' A' 1923 ' ' LEU . 13.0 mptt -63.68 -33.1 74.88 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.303 -0.862 . . . . 0.0 110.631 -178.644 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1961 ' ' VAL . . . . . 0.806 HG21 ' HB2' ' A' 1865 ' ' ALA . 1.6 m -66.11 -38.79 82.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 116.16 -0.473 . . . . 0.0 109.98 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1962 ' ' SER . . . . . 0.485 ' HA ' HD12 ' A' 1965 ' ' LEU . 3.4 m -70.57 -25.69 63.19 Favored 'General case' 0 N--CA 1.442 -0.836 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.165 177.077 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1963 ' ' HIS . . . . . 0.609 ' HB3' ' HD2' ' A' 1919 ' ' ARG . 67.5 m170 -72.3 -39.26 68.42 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.379 -0.828 . . . . 0.0 110.346 179.655 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1964 ' ' VAL . . . . . 0.505 ' O ' HD23 ' A' 1968 ' ' LEU . 92.3 t -60.27 -42.38 90.33 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.151 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 173.186 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1965 ' ' LEU . . . . . 0.633 ' HG ' ' O ' ' A' 1961 ' ' VAL . 65.8 mt -58.65 -47.87 82.98 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.48 -0.782 . . . . 0.0 111.066 179.142 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1966 ' ' ALA . . . . . . . . . . . . . . . -70.03 -30.26 67.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.854 -177.887 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1967 ' ' ALA . . . . . . . . . . . . . . . -69.62 -48.05 61.37 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.864 0.364 . . . . 0.0 110.992 179.587 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1968 ' ' LEU . . . . . 0.554 HD21 ' SD ' ' A' 1857 ' ' MET . 4.2 mm? -78.91 -42.3 27.5 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.766 -174.838 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1969 ' ' GLN . . . . . . . . . . . . . 55.6 mt-30 . . . . . 0 C--N 1.327 -0.4 0 CA-C-O 120.674 0.273 . . . . 0.0 111.487 -175.478 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A 1850 ' ' PHE . . . . . . . . . . . . . 89.3 t80 . . . . . 0 CA--C 1.528 0.108 0 CA-C-O 120.846 0.355 . . . . 0.0 110.914 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A 1851 ' ' VAL . . . . . . . . . . . . . 17.2 m -61.61 -29.48 46.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.811 -176.501 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1852 ' ' ASP . . . . . . . . . . . . . 21.4 t70 -70.1 -50.22 43.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.977 0.418 . . . . 0.0 110.36 -179.66 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1853 ' ' TYR . . . . . 0.496 ' O ' ' HG2' ' A' 1857 ' ' MET . 36.0 m-85 -66.82 -37.22 84.1 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.64 -0.709 . . . . 0.0 109.947 179.415 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1854 ' ' GLN . . . . . 0.842 ' HG3' ' HB3' ' A' 1968 ' ' LEU . 48.0 tt0 -56.27 -58.67 6.97 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.324 -0.853 . . . . 0.0 111.083 177.036 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1855 ' ' THR . . . . . 0.454 ' O ' ' HG2' ' A' 1859 ' ' ARG . 28.7 m -59.24 -41.15 88.06 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.854 -0.612 . . . . 0.0 112.035 -174.194 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1856 ' ' THR . . . . . 0.456 HG22 ' O ' ' A' 1853 ' ' TYR . 15.0 t -66.71 -46.19 76.32 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 111.993 0.368 . . . . 0.0 111.993 -174.034 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1857 ' ' MET . . . . . 0.496 ' HG2' ' O ' ' A' 1853 ' ' TYR . 13.6 ptm -79.93 -24.15 41.26 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.828 -0.349 . . . . 0.0 111.455 -173.085 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1858 ' ' VAL . . . . . 0.416 HG13 ' O ' ' A' 1854 ' ' GLN . 19.1 m -72.99 -34.53 46.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 C-N-CA 119.704 -0.799 . . . . 0.0 109.42 173.662 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1859 ' ' ARG . . . . . 0.454 ' HG2' ' O ' ' A' 1855 ' ' THR . 15.5 mmm180 -66.25 -39.31 89.41 Favored 'General case' 0 CA--C 1.52 -0.191 0 N-CA-C 109.406 -0.59 . . . . 0.0 109.406 173.036 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1860 ' ' THR . . . . . 0.515 ' O ' HG13 ' A' 1864 ' ' ILE . 33.8 m -64.54 -41.37 96.39 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.516 -0.765 . . . . 0.0 110.678 178.086 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1861 ' ' ALA . . . . . 0.453 ' HB1' ' HB ' ' A' 1961 ' ' VAL . . . -62.48 -39.92 95.0 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.897 0.38 . . . . 0.0 110.725 177.29 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1862 ' ' LYS . . . . . . . . . . . . . 59.6 mttm -67.09 -33.42 75.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.394 176.886 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1863 ' ' ALA . . . . . . . . . . . . . . . -65.25 -45.63 83.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.061 175.194 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1864 ' ' ILE . . . . . 0.663 HG12 ' HB3' ' A' 1892 ' ' ASP . 58.1 mt -59.29 -43.65 90.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.179 175.65 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1865 ' ' ALA . . . . . 0.746 ' HB2' HG21 ' A' 1961 ' ' VAL . . . -59.4 -44.72 92.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.842 -178.675 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1866 ' ' VAL . . . . . 0.487 ' HA ' ' HG2' ' A' 1869 ' ' GLN . 10.4 p -74.51 -27.09 20.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 C-N-CA 120.599 -0.44 . . . . 0.0 110.487 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1867 ' ' THR . . . . . 0.635 ' O ' ' HG3' ' A' 1871 ' ' MET . 68.3 m -67.22 -56.87 8.07 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 110.132 -0.321 . . . . 0.0 110.132 173.763 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1868 ' ' VAL . . . . . 0.575 ' HA ' ' SD ' ' A' 1871 ' ' MET . 32.5 m -62.79 -34.39 65.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.685 -175.537 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1869 ' ' GLN . . . . . 0.515 ' O ' HG22 ' A' 1872 ' ' VAL . 1.5 pt20 -72.67 -32.56 65.92 Favored 'General case' 0 N--CA 1.452 -0.372 0 C-N-CA 120.714 -0.394 . . . . 0.0 110.46 -177.907 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1870 ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -70.82 -29.33 65.46 Favored 'General case' 0 C--O 1.217 -0.611 0 C-N-CA 120.817 -0.353 . . . . 0.0 110.428 175.524 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1871 ' ' MET . . . . . 0.635 ' HG3' ' O ' ' A' 1867 ' ' THR . 59.3 mtp -61.45 -42.57 98.96 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.628 0.252 . . . . 0.0 110.364 179.61 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1872 ' ' VAL . . . . . 0.99 ' HB ' HG13 ' A' 1951 ' ' ILE . 1.1 m -72.51 -29.17 30.08 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.383 0 CA-C-O 121.672 0.749 . . . . 0.0 110.273 178.813 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1873 ' ' THR . . . . . . . . . . . . . 91.0 m -79.22 -37.39 38.25 Favored 'General case' 0 C--N 1.315 -0.929 0 CA-C-N 114.642 -1.163 . . . . 0.0 110.797 -177.439 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1874 ' ' LYS . . . . . . . . . . . . . 73.2 mmtt -74.35 -41.32 61.25 Favored 'General case' 0 C--O 1.217 -0.647 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.897 179.245 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1875 ' ' SER . . . . . . . . . . . . . 33.0 p -53.51 -19.81 4.14 Favored 'General case' 0 N--CA 1.465 0.318 0 N-CA-C 112.899 0.703 . . . . 0.0 112.899 -173.359 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1876 ' ' ASN . . . . . . . . . . . . . 91.2 m-20 -72.95 -40.85 65.03 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 111.774 0.287 . . . . 0.0 111.774 -178.903 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1877 ' ' THR . . . . . . . . . . . . . 34.3 p -122.4 -16.53 7.32 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 112.209 0.448 . . . . 0.0 112.209 -177.378 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1878 ' ' SER . . . . . . . . . . . . . 52.5 m -135.49 100.8 11.19 Favored Pre-proline 0 C--N 1.319 -0.747 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.566 -175.001 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1879 ' ' PRO . . . . . 0.958 ' HA ' HD12 ' A' 1882 ' ' LEU . 36.4 Cg_endo -91.15 2.94 4.51 Favored 'Trans proline' 0 N--CA 1.445 -1.355 0 C-N-CA 121.604 1.536 . . . . 0.0 110.905 171.515 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1880 ' ' GLU . . . . . 0.407 ' H ' ' HG2' ' A' 1880 ' ' GLU . 9.5 pt-20 -85.68 -38.72 18.03 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 114.771 -1.104 . . . . 0.0 110.995 178.837 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1881 ' ' GLU . . . . . . . . . . . . . 22.6 mm-40 -66.46 -14.91 62.88 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-O 121.317 0.58 . . . . 0.0 111.029 -179.48 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1882 ' ' LEU . . . . . 0.958 HD12 ' HA ' ' A' 1879 ' ' PRO . 4.9 mt -79.11 -3.1 43.77 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 115.458 -0.792 . . . . 0.0 111.52 -176.165 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1883 ' ' GLY . . . . . . . . . . . . . . . -76.31 -61.36 2.82 Favored Glycine 0 N--CA 1.447 -0.611 0 C-N-CA 120.454 -0.879 . . . . 0.0 111.333 170.378 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1884 ' ' PRO . . . . . . . . . . . . . 41.9 Cg_exo -58.85 -44.37 36.41 Favored 'Trans proline' 0 C--N 1.348 0.53 0 C-N-CA 122.775 2.317 . . . . 0.0 112.57 175.512 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1885 ' ' LEU . . . . . 0.435 ' HB3' ' HG2' ' A' 1871 ' ' MET . 66.2 mt -59.5 -33.77 71.77 Favored 'General case' 0 N--CA 1.464 0.231 0 N-CA-C 112.122 0.416 . . . . 0.0 112.122 -176.583 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1886 ' ' ALA . . . . . . . . . . . . . . . -69.1 -47.16 65.91 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.974 0.416 . . . . 0.0 110.712 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1887 ' ' ASN . . . . . . . . . . . . . 93.5 m-20 -68.78 -27.61 66.04 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.171 0.51 . . . . 0.0 110.004 177.587 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1888 ' ' GLN . . . . . . . . . . . . . 52.5 tp60 -64.9 -54.96 22.57 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.374 -0.83 . . . . 0.0 110.019 175.648 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1889 ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -52.4 -46.05 66.14 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.443 0.639 . . . . 0.0 109.633 177.372 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1890 ' ' THR . . . . . . . . . . . . . 45.3 m -57.57 -45.03 85.69 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.228 -0.896 . . . . 0.0 111.11 179.515 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1891 ' ' SER . . . . . . . . . . . . . 40.9 m -69.83 -39.27 76.55 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.964 -178.775 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1892 ' ' ASP . . . . . 0.663 ' HB3' HG12 ' A' 1864 ' ' ILE . 57.9 m-20 -60.48 -48.64 80.89 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.604 177.741 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1893 ' ' TYR . . . . . . . . . . . . . 75.4 t80 -59.49 -36.88 76.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.852 178.343 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1894 ' ' GLY . . . . . . . . . . . . . . . -59.07 -34.81 81.05 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.988 -0.625 . . . . 0.0 112.478 179.098 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1895 ' ' ARG . . . . . . . . . . . . . 23.6 ttt180 -78.55 -35.86 45.43 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.107 0.48 . . . . 0.0 110.421 178.117 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1896 ' ' LEU . . . . . 0.671 HD11 HG11 ' A' 1964 ' ' VAL . 63.7 tp -68.15 -50.25 55.78 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.35 -179.24 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1897 ' ' ALA . . . . . . . . . . . . . . . -64.76 -24.46 67.56 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.902 -0.59 . . . . 0.0 112.07 -175.26 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1898 ' ' SER . . . . . . . . . . . . . 4.1 p -81.22 -44.1 18.29 Favored 'General case' 0 C--N 1.324 -0.519 0 C-N-CA 120.891 -0.324 . . . . 0.0 110.631 -177.854 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1899 ' ' GLN . . . . . . . . . . . . . 82.3 mm-40 -65.57 -18.08 65.06 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.296 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1900 ' ' ALA . . . . . 0.488 ' HA ' ' HE1' ' A' 1857 ' ' MET . . . -63.1 -28.48 70.1 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.324 178.701 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1901 ' ' LYS . . . . . 0.705 ' HB3' ' HD3' ' A' 1902 ' ' PRO . 0.5 OUTLIER -75.2 -56.96 1.82 Allowed Pre-proline 0 CA--C 1.54 0.563 0 C-N-CA 120.839 -0.344 . . . . 0.0 111.143 -177.365 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A 1902 ' ' PRO . . . . . 0.705 ' HD3' ' HB3' ' A' 1901 ' ' LYS . 38.8 Cg_exo -61.49 -27.43 82.18 Favored 'Trans proline' 0 C--N 1.357 1.021 0 C-N-CA 121.994 1.796 . . . . 0.0 112.346 178.848 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1903 ' ' ALA . . . . . . . . . . . . . . . -73.42 -33.46 64.96 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.927 0.394 . . . . 0.0 110.692 177.814 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1904 ' ' ALA . . . . . . . . . . . . . . . -75.97 -31.58 59.09 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.858 -177.484 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1905 ' ' VAL . . . . . 0.452 HG22 ' HA ' ' A' 1902 ' ' PRO . 17.1 m -80.51 -21.03 11.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.822 179.642 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1906 ' ' ALA . . . . . . . . . . . . . . . -96.97 11.01 37.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.189 0.519 . . . . 0.0 110.381 177.901 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1907 ' ' ALA . . . . . 0.417 ' HB1' ' HB ' ' A' 1912 ' ' ILE . . . -92.46 118.28 30.8 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.758 -179.38 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1908 ' ' GLU . . . . . . . . . . . . . 22.6 mm-40 -67.25 -49.31 64.89 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.815 -179.114 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1909 ' ' ASN . . . . . 0.686 ' HB2' HG13 ' A' 1912 ' ' ILE . 3.2 m-20 -88.31 149.29 23.86 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.458 -176.74 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1910 ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -49.89 -54.18 21.25 Favored 'General case' 0 CA--C 1.516 -0.329 0 O-C-N 123.885 0.741 . . . . 0.0 111.059 -179.781 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1911 ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -70.65 -30.81 67.54 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-N 114.543 -1.208 . . . . 0.0 112.161 -170.06 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1912 ' ' ILE . . . . . 0.686 HG13 ' HB2' ' A' 1909 ' ' ASN . 53.6 mt -56.48 -53.91 34.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 C-N-CA 120.55 -0.46 . . . . 0.0 110.041 -179.702 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1913 ' ' GLY . . . . . . . . . . . . . . . -75.04 -26.27 67.0 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.609 -0.805 . . . . 0.0 112.265 -179.259 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1914 ' ' ALA . . . . . . . . . . . . . . . -72.33 -42.75 65.03 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.78 0.324 . . . . 0.0 110.571 -178.615 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1915 ' ' HIS . . . . . 0.613 ' O ' ' HG2' ' A' 1919 ' ' ARG . 74.6 m-70 -67.02 -40.13 87.18 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.903 -178.531 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1916 ' ' ILE . . . . . 0.548 HG13 ' O ' ' A' 1912 ' ' ILE . 99.1 mt -51.7 -55.29 9.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 O-C-N 123.543 0.527 . . . . 0.0 110.979 178.846 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1917 ' ' LYS . . . . . . . . . . . . . 52.1 mtmt -71.27 -35.4 71.35 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.02 -178.302 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1918 ' ' HIS . . . . . . . . . . . . . 48.0 t-80 -63.37 -38.43 91.13 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.186 -178.442 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1919 ' ' ARG . . . . . 0.613 ' HG2' ' O ' ' A' 1915 ' ' HIS . 31.1 mmt180 -73.69 -47.16 41.71 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.495 -0.32 . . . . 0.0 111.216 -177.054 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1920 ' ' VAL . . . . . 0.41 ' HA ' ' HB2' ' A' 1923 ' ' LEU . 30.0 m -66.42 -26.93 38.89 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-O 120.915 0.388 . . . . 0.0 110.897 -179.03 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1921 ' ' GLN . . . . . . . . . . . . . 24.9 tm0? -62.44 -39.29 92.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.341 177.701 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1922 ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -79.23 -30.37 43.17 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.131 0.491 . . . . 0.0 110.094 179.258 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1923 ' ' LEU . . . . . 0.551 ' HG ' ' HB3' ' A' 1960 ' ' LYS . 4.3 mt -65.13 -34.7 79.01 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.063 178.219 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1924 ' ' GLY . . . . . . . . . . . . . . . -55.22 -41.71 79.86 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 121.111 -0.566 . . . . 0.0 112.354 178.582 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1925 ' ' HIS . . . . . . . . . . . . . 24.0 m170 -66.59 -44.58 81.79 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.919 -0.4 . . . . 0.0 109.919 179.059 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1926 ' ' GLY . . . . . . . . . . . . . . . -64.8 -43.8 95.66 Favored Glycine 0 N--CA 1.449 -0.47 0 CA-C-N 115.657 -0.701 . . . . 0.0 112.355 -178.439 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1927 ' ' CYS . . . . . . . . . . . . . 62.8 m -61.71 -49.56 75.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.821 0.344 . . . . 0.0 110.313 178.519 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1928 ' ' SER . . . . . . . . . . . . . 41.3 t -61.38 -39.1 89.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.99 -179.443 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1929 ' ' ALA . . . . . 0.473 ' O ' ' HG2' ' A' 1933 ' ' LYS . . . -69.05 -46.03 68.9 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.497 -0.319 . . . . 0.0 110.892 179.071 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1930 ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -62.58 -47.52 83.46 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.988 -176.646 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1931 ' ' VAL . . . . . . . . . . . . . 24.4 m -63.22 -27.95 44.09 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.203 0 CA-C-O 120.888 0.375 . . . . 0.0 110.94 -178.247 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1932 ' ' THR . . . . . . . . . . . . . 44.3 m -74.77 -41.19 60.51 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.18 176.519 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1933 ' ' LYS . . . . . 0.473 ' HG2' ' O ' ' A' 1929 ' ' ALA . 74.6 mmtt -65.53 -37.48 86.85 Favored 'General case' 0 C--N 1.333 -0.132 0 CA-C-O 120.989 0.423 . . . . 0.0 110.289 177.071 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1934 ' ' ALA . . . . . . . . . . . . . . . -61.79 -42.65 99.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.594 177.005 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1935 ' ' GLY . . . . . . . . . . . . . . . -67.47 -41.43 90.55 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.009 177.372 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1936 ' ' ALA . . . . . . . . . . . . . . . -61.39 -46.78 88.73 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.44 0.162 . . . . 0.0 111.286 179.031 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1937 ' ' LEU . . . . . 0.484 ' HB2' HG22 ' A' 1946 ' ' THR . 21.7 tp -69.72 -29.73 67.19 Favored 'General case' 0 CA--C 1.517 -0.295 0 CA-C-O 121.105 0.478 . . . . 0.0 110.561 179.247 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1938 ' ' GLN . . . . . 0.428 ' HG3' ' O ' ' A' 1879 ' ' PRO . 44.9 tt0 -66.79 -29.21 69.1 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-O 121.323 0.582 . . . . 0.0 110.008 -179.865 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1939 ' ' CYS . . . . . . . . . . . . . 57.9 m -86.62 -36.71 18.66 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.588 176.432 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1940 ' ' SER . . . . . . . . . . . . . 20.2 m -118.89 78.66 16.34 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.547 -0.297 . . . . 0.0 110.637 178.513 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1941 ' ' PRO . . . . . 0.524 ' HB3' ' HG3' ' A' 1879 ' ' PRO . 11.0 Cg_exo -73.0 -17.61 24.87 Favored 'Trans proline' 0 C--N 1.344 0.32 0 C-N-CA 122.961 2.44 . . . . 0.0 112.67 -174.292 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1942 ' ' SER . . . . . . . . . . . . . 18.6 m -90.42 -2.7 57.96 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.149 -177.668 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1943 ' ' ASP . . . . . . . . . . . . . 12.2 t70 -90.91 111.36 22.75 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.983 0.42 . . . . 0.0 110.036 -178.527 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1944 ' ' VAL . . . . . . . . . . . . . 9.9 p -74.17 -26.77 21.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.811 -177.072 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1945 ' ' TYR . . . . . . . . . . . . . 90.4 m-85 -69.31 -43.48 73.69 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.514 -0.312 . . . . 0.0 110.707 -177.433 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1946 ' ' THR . . . . . 0.484 HG22 ' HB2' ' A' 1937 ' ' LEU . 65.5 m -58.2 -40.63 82.06 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.338 174.506 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1947 ' ' LYS . . . . . . . . . . . . . 22.7 ttpt -66.45 -42.64 87.29 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.303 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1948 ' ' LYS . . . . . 0.497 ' HE2' ' HA ' ' A' 1948 ' ' LYS . 9.3 mmpt? -51.42 -48.23 62.72 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.645 178.576 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1949 ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -60.06 -38.94 84.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.214 -178.511 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1950 ' ' LEU . . . . . 0.546 HD11 HD22 ' A' 1882 ' ' LEU . 7.8 tt -64.84 -50.47 66.53 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.429 -178.383 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1951 ' ' ILE . . . . . 0.99 HG13 ' HB ' ' A' 1872 ' ' VAL . 1.9 mp -60.63 -43.19 94.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-O 120.893 0.378 . . . . 0.0 110.02 177.384 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1952 ' ' GLU . . . . . 0.499 ' O ' ' HG3' ' A' 1956 ' ' ARG . 6.5 mm-40 -64.77 -29.45 70.42 Favored 'General case' 0 CA--C 1.517 -0.32 0 CA-C-N 115.749 -0.659 . . . . 0.0 111.16 -178.747 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1953 ' ' CYS . . . . . 0.414 ' O ' HG13 ' A' 1957 ' ' VAL . 57.1 m -76.19 -51.26 12.48 Favored 'General case' 0 C--N 1.316 -0.89 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.471 179.093 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1954 ' ' ALA . . . . . 0.625 ' HA ' HG22 ' A' 1957 ' ' VAL . . . -62.26 -37.67 86.34 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 111.857 0.317 . . . . 0.0 111.857 -175.331 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1955 ' ' ARG . . . . . . . . . . . . . 7.1 ppt_? -66.49 -25.07 66.53 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.809 0.338 . . . . 0.0 110.803 179.69 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1956 ' ' ARG . . . . . 0.499 ' HG3' ' O ' ' A' 1952 ' ' GLU . 47.2 mtm105 -82.53 -43.67 16.85 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.885 176.718 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1957 ' ' VAL . . . . . 0.626 ' O ' HG13 ' A' 1961 ' ' VAL . 12.6 m -68.51 -29.26 43.37 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.168 0 C-N-CA 120.928 -0.309 . . . . 0.0 111.294 -176.18 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1958 ' ' SER . . . . . 0.628 ' O ' HG22 ' A' 1961 ' ' VAL . 36.7 t -64.24 -24.48 67.68 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-O 120.986 0.422 . . . . 0.0 110.216 177.243 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1959 ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -75.32 -39.3 59.65 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 109.95 -0.389 . . . . 0.0 109.95 173.46 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1960 ' ' LYS . . . . . 0.551 ' HB3' ' HG ' ' A' 1923 ' ' LEU . 71.0 mmtt -61.62 -41.7 97.84 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.127 -0.488 . . . . 0.0 109.907 178.712 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1961 ' ' VAL . . . . . 0.746 HG21 ' HB2' ' A' 1865 ' ' ALA . 3.2 m -65.89 -34.08 67.89 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.345 178.718 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1962 ' ' SER . . . . . 0.543 ' HA ' HD12 ' A' 1965 ' ' LEU . 53.9 m -67.61 -24.97 65.54 Favored 'General case' 0 N--CA 1.454 -0.272 0 CA-C-O 121.268 0.556 . . . . 0.0 110.109 177.948 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1963 ' ' HIS . . . . . . . . . . . . . 63.8 m170 -80.03 -27.98 39.38 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.36 179.726 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1964 ' ' VAL . . . . . 0.671 HG11 HD11 ' A' 1896 ' ' LEU . 92.5 t -64.81 -47.59 87.91 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.344 0 N-CA-C 108.583 -0.895 . . . . 0.0 108.583 172.618 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1965 ' ' LEU . . . . . 0.575 ' HG ' ' O ' ' A' 1961 ' ' VAL . 20.7 mt -52.58 -52.83 53.27 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.109 -0.95 . . . . 0.0 109.865 176.689 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1966 ' ' ALA . . . . . . . . . . . . . . . -62.68 -44.35 96.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.763 -0.653 . . . . 0.0 112.069 -178.214 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1967 ' ' ALA . . . . . . . . . . . . . . . -58.5 -46.64 86.28 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-O 120.854 0.359 . . . . 0.0 111.084 179.703 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1968 ' ' LEU . . . . . 0.842 ' HB3' ' HG3' ' A' 1854 ' ' GLN . 4.3 mm? -70.03 -30.09 67.29 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.835 179.189 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1969 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.464 0.263 0 CA-C-O 120.671 0.272 . . . . 0.0 111.252 -179.331 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1850 ' ' PHE . . . . . 0.418 ' HA ' ' HD2' ' A' 1853 ' ' TYR . 94.2 t80 . . . . . 0 N--CA 1.463 0.203 0 CA-C-O 120.924 0.392 . . . . 0.0 111.034 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1851 ' ' VAL . . . . . . . . . . . . . 20.9 m -52.17 -33.73 17.11 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.322 0 CA-C-N 115.791 -0.641 . . . . 0.0 112.073 178.229 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1852 ' ' ASP . . . . . . . . . . . . . 13.8 t70 -76.1 -45.61 33.07 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-O 121.099 0.476 . . . . 0.0 110.576 -178.275 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1853 ' ' TYR . . . . . 0.667 ' O ' ' HG2' ' A' 1857 ' ' MET . 52.2 m-85 -69.43 -34.05 73.88 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.602 -177.47 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1854 ' ' GLN . . . . . 0.678 ' HG3' ' HB3' ' A' 1968 ' ' LEU . 31.0 tt0 -58.57 -60.08 4.38 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.823 178.009 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1855 ' ' THR . . . . . . . . . . . . . 23.9 m -63.71 -30.38 71.49 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.795 -0.639 . . . . 0.0 112.471 -173.037 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1856 ' ' THR . . . . . 0.499 HG22 ' O ' ' A' 1853 ' ' TYR . 15.1 t -69.92 -50.08 45.61 Favored 'General case' 0 C--N 1.325 -0.485 0 C-N-CA 120.341 -0.543 . . . . 0.0 111.395 -176.948 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1857 ' ' MET . . . . . 0.688 ' HG3' HD11 ' A' 1968 ' ' LEU . 9.6 ptm -82.1 -16.89 48.4 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 112.258 0.466 . . . . 0.0 112.258 -173.205 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1858 ' ' VAL . . . . . . . . . . . . . 30.6 m -68.72 -40.49 81.63 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.187 0 C-N-CA 119.476 -0.889 . . . . 0.0 108.724 173.626 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1859 ' ' ARG . . . . . 0.575 HH21 ' HD3' ' A' 1862 ' ' LYS . 4.5 mmp_? -64.49 -38.32 90.62 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.683 -0.69 . . . . 0.0 109.867 176.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1860 ' ' THR . . . . . . . . . . . . . 19.4 m -64.74 -45.1 87.91 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.801 177.57 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1861 ' ' ALA . . . . . . . . . . . . . . . -62.04 -40.04 94.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.017 0.437 . . . . 0.0 110.571 177.594 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1862 ' ' LYS . . . . . 0.575 ' HD3' HH21 ' A' 1859 ' ' ARG . 44.9 mttm -64.85 -35.87 82.51 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.511 176.721 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1863 ' ' ALA . . . . . . . . . . . . . . . -69.17 -38.73 78.88 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.424 178.396 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1864 ' ' ILE . . . . . 0.405 HD12 HD22 ' A' 1896 ' ' LEU . 71.4 mt -64.26 -43.82 97.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 116.249 -0.432 . . . . 0.0 109.971 174.213 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1865 ' ' ALA . . . . . 0.807 ' HB2' HG21 ' A' 1961 ' ' VAL . . . -58.55 -45.81 88.15 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.62 179.74 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1866 ' ' VAL . . . . . 0.535 ' O ' ' HG3' ' A' 1870 ' ' GLU . 14.7 p -70.26 -34.7 59.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 C-N-CA 120.369 -0.532 . . . . 0.0 110.451 179.666 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1867 ' ' THR . . . . . 0.642 ' O ' ' HG3' ' A' 1871 ' ' MET . 99.6 m -63.71 -52.7 59.38 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.58 0.229 . . . . 0.0 110.839 177.271 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1868 ' ' VAL . . . . . 0.503 ' HA ' ' SD ' ' A' 1871 ' ' MET . 34.1 m -62.52 -35.03 68.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.6 -0.273 . . . . 0.0 110.817 -177.462 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1869 ' ' GLN . . . . . 0.587 ' O ' HG22 ' A' 1872 ' ' VAL . 2.0 pt20 -74.4 -26.58 60.18 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 120.767 -0.373 . . . . 0.0 110.166 -179.488 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1870 ' ' GLU . . . . . 0.535 ' HG3' ' O ' ' A' 1866 ' ' VAL . 46.0 mt-10 -68.36 -37.2 80.23 Favored 'General case' 0 C--O 1.223 -0.337 0 N-CA-C 109.775 -0.454 . . . . 0.0 109.775 172.755 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1871 ' ' MET . . . . . 0.642 ' HG3' ' O ' ' A' 1867 ' ' THR . 41.7 mtp -60.87 -39.38 88.98 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.778 -178.36 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1872 ' ' VAL . . . . . 0.954 ' HB ' HG13 ' A' 1951 ' ' ILE . 1.9 m -73.17 -28.63 26.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 121.43 0.633 . . . . 0.0 110.597 179.162 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1873 ' ' THR . . . . . . . . . . . . . 28.5 m -80.93 -51.53 8.45 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-N 115.167 -0.924 . . . . 0.0 111.445 -178.116 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1874 ' ' LYS . . . . . 0.529 ' HG3' HD11 ' A' 1885 ' ' LEU . 74.0 mmtt -63.42 -36.14 82.73 Favored 'General case' 0 C--O 1.222 -0.378 0 CA-C-N 115.647 -0.706 . . . . 0.0 111.568 -176.262 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1875 ' ' SER . . . . . 0.543 ' HB3' HD11 ' A' 1882 ' ' LEU . 5.5 p -56.42 -16.72 6.23 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 113.273 0.842 . . . . 0.0 113.273 -173.144 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1876 ' ' ASN . . . . . . . . . . . . . 58.3 m-80 -75.18 -38.01 61.01 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.622 0.249 . . . . 0.0 111.484 -179.188 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1877 ' ' THR . . . . . . . . . . . . . 46.1 p -117.14 -30.21 5.71 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.261 0.553 . . . . 0.0 111.473 -177.655 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1878 ' ' SER . . . . . 0.406 ' HB3' ' HB2' ' A' 1881 ' ' GLU . 70.3 m -125.31 94.0 44.06 Favored Pre-proline 0 C--N 1.319 -0.731 0 CA-C-N 115.663 -0.699 . . . . 0.0 111.613 -174.753 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1879 ' ' PRO . . . . . 0.943 ' HA ' HD12 ' A' 1882 ' ' LEU . 38.0 Cg_endo -86.21 -16.53 4.07 Favored 'Trans proline' 0 N--CA 1.444 -1.387 0 C-N-CA 121.213 1.275 . . . . 0.0 111.435 171.135 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1880 ' ' GLU . . . . . 0.505 ' OE1' ' HD2' ' A' 1879 ' ' PRO . 37.9 mp0 -73.57 -31.93 63.88 Favored 'General case' 0 C--O 1.231 0.081 0 CA-C-O 121.205 0.526 . . . . 0.0 109.837 175.348 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1881 ' ' GLU . . . . . 0.406 ' HB2' ' HB3' ' A' 1878 ' ' SER . 6.2 tp10 -69.76 -14.37 62.74 Favored 'General case' 0 N--CA 1.445 -0.703 0 CA-C-O 121.784 0.802 . . . . 0.0 110.497 -177.588 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1882 ' ' LEU . . . . . 0.943 HD12 ' HA ' ' A' 1879 ' ' PRO . 0.7 OUTLIER -77.76 -6.43 54.01 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.327 -0.851 . . . . 0.0 112.296 -175.78 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A 1883 ' ' GLY . . . . . . . . . . . . . . . -71.62 -61.08 3.99 Favored Glycine 0 N--CA 1.447 -0.589 0 C-N-CA 120.264 -0.969 . . . . 0.0 111.362 173.571 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1884 ' ' PRO . . . . . 0.495 ' HA ' ' OD1' ' A' 1887 ' ' ASN . 37.4 Cg_endo -67.78 -10.13 27.79 Favored 'Trans proline' 0 C--N 1.347 0.496 0 C-N-CA 122.734 2.29 . . . . 0.0 112.875 176.44 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1885 ' ' LEU . . . . . 0.529 HD11 ' HG3' ' A' 1874 ' ' LYS . 36.6 mt -82.21 -36.64 27.04 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.994 0.426 . . . . 0.0 110.58 171.266 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1886 ' ' ALA . . . . . . . . . . . . . . . -71.38 -45.97 61.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.252 -178.466 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1887 ' ' ASN . . . . . 0.495 ' OD1' ' HA ' ' A' 1884 ' ' PRO . 18.3 p-10 -67.99 -26.95 66.16 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.136 0.493 . . . . 0.0 109.729 178.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1888 ' ' GLN . . . . . 0.464 ' HG3' HG21 ' A' 1867 ' ' THR . 25.9 tp60 -69.47 -48.7 59.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.611 177.799 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1889 ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -56.04 -49.35 73.98 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 108.985 -0.746 . . . . 0.0 108.985 175.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1890 ' ' THR . . . . . . . . . . . . . 32.6 m -57.34 -45.37 84.39 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.057 -0.974 . . . . 0.0 111.242 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1891 ' ' SER . . . . . . . . . . . . . 28.8 t -64.7 -46.68 81.31 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.01 -178.757 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1892 ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -67.54 -39.82 85.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.926 -177.336 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1893 ' ' TYR . . . . . . . . . . . . . 43.1 t80 -60.53 -44.18 96.37 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.538 -0.301 . . . . 0.0 110.916 178.215 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1894 ' ' GLY . . . . . . . . . . . . . . . -55.01 -42.01 79.4 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.738 -0.744 . . . . 0.0 111.645 178.586 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1895 ' ' ARG . . . . . . . . . . . . . 37.1 ttp180 -64.05 -47.61 79.51 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.492 -0.354 . . . . 0.0 110.539 177.489 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1896 ' ' LEU . . . . . 0.48 HD12 ' HB2' ' A' 1857 ' ' MET . 51.4 tp -57.42 -47.19 82.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.921 177.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1897 ' ' ALA . . . . . . . . . . . . . . . -63.29 -24.42 67.85 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.311 -179.425 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1898 ' ' SER . . . . . . . . . . . . . 48.4 m -80.03 -23.82 41.18 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.124 -178.013 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1899 ' ' GLN . . . . . 0.445 ' O ' ' HD2' ' A' 1902 ' ' PRO . 80.3 mm-40 -84.12 -21.38 31.43 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.576 179.824 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1900 ' ' ALA . . . . . . . . . . . . . . . -64.59 -33.96 77.15 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.609 -179.809 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1901 ' ' LYS . . . . . 0.685 ' HB3' ' HD3' ' A' 1902 ' ' PRO . 58.8 tptt -64.77 -57.53 16.1 Favored Pre-proline 0 CA--C 1.542 0.666 0 CA-C-N 116.289 -0.414 . . . . 0.0 112.047 -176.96 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1902 ' ' PRO . . . . . 0.685 ' HD3' ' HB3' ' A' 1901 ' ' LYS . 6.8 Cg_exo -73.41 -24.18 16.7 Favored 'Trans proline' 0 C--N 1.354 0.861 0 C-N-CA 122.024 1.816 . . . . 0.0 112.5 -177.766 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1903 ' ' ALA . . . . . . . . . . . . . . . -72.51 -35.0 68.02 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.896 0.379 . . . . 0.0 111.025 -179.592 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1904 ' ' ALA . . . . . . . . . . . . . . . -72.33 -35.69 68.65 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.078 0.466 . . . . 0.0 110.56 -176.64 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1905 ' ' VAL . . . . . . . . . . . . . 26.4 m -84.18 -7.45 10.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.309 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1906 ' ' ALA . . . . . . . . . . . . . . . -100.38 -13.11 18.9 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.074 0.464 . . . . 0.0 110.593 177.32 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1907 ' ' ALA . . . . . . . . . . . . . . . -79.23 113.22 17.19 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.916 -0.583 . . . . 0.0 111.027 -179.045 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1908 ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -65.41 -21.14 66.63 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.198 176.77 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1909 ' ' ASN . . . . . 0.469 ' HB3' HD12 ' A' 1912 ' ' ILE . 27.6 t-20 -93.98 143.43 26.36 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.866 -177.319 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1910 ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -61.83 -53.78 51.24 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.452 179.423 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1911 ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 -63.28 -44.96 93.58 Favored 'General case' 0 N--CA 1.447 -0.581 0 CA-C-N 115.646 -0.707 . . . . 0.0 111.958 -172.56 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1912 ' ' ILE . . . . . 0.583 ' O ' HG13 ' A' 1916 ' ' ILE . 60.2 mt -52.25 -54.45 14.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 123.081 0.238 . . . . 0.0 110.75 -177.888 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1913 ' ' GLY . . . . . . . . . . . . . . . -65.43 -32.33 83.16 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.374 -179.834 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1914 ' ' ALA . . . . . 0.405 ' O ' ' HB2' ' A' 1918 ' ' HIS . . . -74.78 -37.3 62.44 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.85 0.357 . . . . 0.0 111.072 -177.276 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1915 ' ' HIS . . . . . 0.55 ' O ' ' HG2' ' A' 1919 ' ' ARG . 87.2 m-70 -76.74 -38.57 53.98 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.309 -177.781 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1916 ' ' ILE . . . . . 0.583 HG13 ' O ' ' A' 1912 ' ' ILE . 97.5 mt -53.04 -58.14 3.4 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.287 0 CA-C-O 120.932 0.396 . . . . 0.0 110.863 179.331 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1917 ' ' LYS . . . . . . . . . . . . . 53.1 mtmt -67.48 -24.85 65.64 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.361 -178.406 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1918 ' ' HIS . . . . . 0.405 ' HB2' ' O ' ' A' 1914 ' ' ALA . 41.9 t-80 -72.09 -46.79 55.42 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.256 179.536 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1919 ' ' ARG . . . . . 0.55 ' HG2' ' O ' ' A' 1915 ' ' HIS . 27.5 mmt180 -71.83 -39.22 69.92 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.655 -174.267 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1920 ' ' VAL . . . . . . . . . . . . . 34.9 m -64.75 -30.0 49.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 C-N-CA 120.742 -0.383 . . . . 0.0 110.395 178.561 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1921 ' ' GLN . . . . . . . . . . . . . 49.1 tt0 -64.75 -45.37 86.7 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.213 0.53 . . . . 0.0 110.12 175.022 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1922 ' ' GLU . . . . . 0.544 ' HB3' ' HD2' ' A' 1960 ' ' LYS . 33.6 mt-10 -66.25 -33.42 75.7 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.379 -0.828 . . . . 0.0 110.893 179.515 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1923 ' ' LEU . . . . . 0.4 HD23 ' HA ' ' A' 1923 ' ' LEU . 43.5 mt -72.11 -32.72 67.23 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.231 177.727 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1924 ' ' GLY . . . . . . . . . . . . . . . -61.18 -47.1 92.81 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.962 -0.637 . . . . 0.0 112.633 -178.789 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1925 ' ' HIS . . . . . . . . . . . . . 35.6 m80 -74.64 -23.87 58.74 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.996 0.427 . . . . 0.0 110.34 -178.751 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1926 ' ' GLY . . . . . . . . . . . . . . . -72.6 -42.27 48.13 Favored Glycine 0 N--CA 1.447 -0.631 0 C-N-CA 120.51 -0.852 . . . . 0.0 111.197 174.491 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1927 ' ' CYS . . . . . . . . . . . . . 44.4 t -61.43 -48.28 81.88 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.55 -0.325 . . . . 0.0 110.924 178.102 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1928 ' ' SER . . . . . . . . . . . . . 13.1 p -61.95 -39.8 93.34 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.824 0.345 . . . . 0.0 111.267 -178.06 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1929 ' ' ALA . . . . . . . . . . . . . . . -67.66 -44.51 77.69 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.914 0.388 . . . . 0.0 110.722 177.835 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1930 ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -63.27 -52.65 61.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.735 -177.625 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1931 ' ' VAL . . . . . . . . . . . . . 32.6 m -62.62 -27.81 43.61 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.211 0 CA-C-O 120.735 0.302 . . . . 0.0 111.619 -175.873 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1932 ' ' THR . . . . . . . . . . . . . 97.3 m -67.77 -44.83 76.53 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-O 120.859 0.361 . . . . 0.0 110.466 176.48 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1933 ' ' LYS . . . . . 0.405 ' HD3' ' HA ' ' A' 1933 ' ' LYS . 34.0 mmtp -75.73 -29.56 58.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.887 179.612 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1934 ' ' ALA . . . . . . . . . . . . . . . -59.46 -47.53 85.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.839 0.352 . . . . 0.0 110.1 174.47 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1935 ' ' GLY . . . . . . . . . . . . . . . -66.82 -33.31 83.75 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.849 -0.691 . . . . 0.0 111.922 176.605 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1936 ' ' ALA . . . . . . . . . . . . . . . -64.36 -52.93 55.84 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.549 0.214 . . . . 0.0 110.558 178.225 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1937 ' ' LEU . . . . . 0.58 ' HB2' HG22 ' A' 1946 ' ' THR . 35.4 tp -64.36 -31.47 72.69 Favored 'General case' 0 CA--C 1.514 -0.436 0 CA-C-O 121.067 0.461 . . . . 0.0 110.448 179.121 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1938 ' ' GLN . . . . . . . . . . . . . 25.8 tt0 -56.86 -38.87 73.33 Favored 'General case' 0 N--CA 1.447 -0.609 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.01 176.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1939 ' ' CYS . . . . . . . . . . . . . 23.6 t -87.24 -5.67 58.86 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.549 -0.75 . . . . 0.0 111.347 179.789 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1940 ' ' SER . . . . . . . . . . . . . 25.1 p -141.45 72.95 25.44 Favored Pre-proline 0 C--N 1.328 -0.368 0 CA-C-O 121.005 0.431 . . . . 0.0 111.698 -176.122 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1941 ' ' PRO . . . . . 0.705 ' HB3' ' HG3' ' A' 1879 ' ' PRO . 25.0 Cg_exo -64.8 -25.59 60.56 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.655 2.236 . . . . 0.0 112.717 -177.304 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1942 ' ' SER . . . . . . . . . . . . . 33.8 p -90.49 4.62 50.57 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.737 -176.363 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1943 ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -100.29 103.43 14.86 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.045 0.45 . . . . 0.0 111.08 179.497 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1944 ' ' VAL . . . . . 0.486 ' O ' ' HG2' ' A' 1948 ' ' LYS . 12.0 p -68.33 -32.31 55.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.524 179.428 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1945 ' ' TYR . . . . . 0.471 ' O ' ' HG3' ' A' 1949 ' ' GLU . 27.6 m-85 -59.24 -46.9 87.26 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.277 -177.886 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1946 ' ' THR . . . . . 0.58 HG22 ' HB2' ' A' 1937 ' ' LEU . 34.7 m -65.48 -31.9 73.23 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 114.815 -1.084 . . . . 0.0 110.897 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1947 ' ' LYS . . . . . 0.426 ' HG3' ' HB2' ' A' 1875 ' ' SER . 28.1 ttpt -71.76 -43.33 65.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.19 177.922 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1948 ' ' LYS . . . . . 0.55 ' HE2' ' HA ' ' A' 1948 ' ' LYS . 9.8 mmpt? -53.58 -51.06 64.2 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.575 -179.201 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1949 ' ' GLU . . . . . 0.471 ' HG3' ' O ' ' A' 1945 ' ' TYR . 38.7 mt-10 -55.38 -43.06 74.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.509 -0.769 . . . . 0.0 110.462 -178.74 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1950 ' ' LEU . . . . . 0.612 HD11 HD22 ' A' 1882 ' ' LEU . 7.4 tt -63.13 -47.37 83.04 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.778 -178.006 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1951 ' ' ILE . . . . . 0.954 HG13 ' HB ' ' A' 1872 ' ' VAL . 1.7 mp -58.33 -47.31 88.11 Favored 'Isoleucine or valine' 0 C--O 1.235 0.341 0 CA-C-O 120.978 0.418 . . . . 0.0 110.25 178.397 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1952 ' ' GLU . . . . . 0.452 ' HG2' ' O ' ' A' 1948 ' ' LYS . 72.0 mm-40 -65.55 -31.31 72.29 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.847 -179.804 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1953 ' ' CYS . . . . . 0.632 ' O ' ' HG2' ' A' 1956 ' ' ARG . 60.8 m -69.82 -39.64 76.39 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.733 179.568 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1954 ' ' ALA . . . . . 0.418 ' HB3' ' CG1' ' A' 1872 ' ' VAL . . . -70.95 -42.54 69.65 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.709 0.29 . . . . 0.0 111.543 -177.424 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1955 ' ' ARG . . . . . 0.449 ' O ' ' HG3' ' A' 1959 ' ' GLU . 2.7 ptp180 -69.82 -24.86 63.53 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.698 0.285 . . . . 0.0 111.534 -178.523 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1956 ' ' ARG . . . . . 0.632 ' HG2' ' O ' ' A' 1953 ' ' CYS . 10.0 ptm180 -81.47 -24.52 36.72 Favored 'General case' 0 C--N 1.324 -0.519 0 C-N-CA 120.413 -0.515 . . . . 0.0 110.453 -179.835 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1957 ' ' VAL . . . . . 0.404 ' O ' HG13 ' A' 1961 ' ' VAL . 16.4 m -89.2 -28.31 5.21 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.147 0 C-N-CA 120.665 -0.414 . . . . 0.0 111.019 176.206 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1958 ' ' SER . . . . . 0.576 ' O ' HG22 ' A' 1961 ' ' VAL . 11.9 p -62.6 -31.26 72.05 Favored 'General case' 0 C--O 1.231 0.096 0 CA-C-O 121.04 0.447 . . . . 0.0 110.584 178.385 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1959 ' ' GLU . . . . . 0.449 ' HG3' ' O ' ' A' 1955 ' ' ARG . 47.6 mt-10 -61.14 -42.42 98.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.639 0.733 . . . . 0.0 109.503 172.903 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1960 ' ' LYS . . . . . 0.544 ' HD2' ' HB3' ' A' 1922 ' ' GLU . 54.6 mtmt -77.0 -26.82 54.31 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.207 -0.906 . . . . 0.0 112.12 -172.341 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1961 ' ' VAL . . . . . 0.807 HG21 ' HB2' ' A' 1865 ' ' ALA . 4.3 m -68.79 -33.74 61.01 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.201 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 174.051 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1962 ' ' SER . . . . . 0.645 ' HA ' HD12 ' A' 1965 ' ' LEU . 19.2 t -70.67 -24.71 62.74 Favored 'General case' 0 N--CA 1.451 -0.383 0 CA-C-N 115.652 -0.703 . . . . 0.0 109.791 178.844 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1963 ' ' HIS . . . . . 0.419 ' ND1' ' HA ' ' A' 1960 ' ' LYS . 46.2 m170 -73.06 -28.47 62.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.107 178.714 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1964 ' ' VAL . . . . . 0.47 HG11 HD11 ' A' 1896 ' ' LEU . 89.2 t -66.99 -45.22 87.6 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.172 0 N-CA-C 108.906 -0.775 . . . . 0.0 108.906 172.314 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1965 ' ' LEU . . . . . 0.645 HD12 ' HA ' ' A' 1962 ' ' SER . 52.3 mt -53.95 -52.19 61.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.036 -0.984 . . . . 0.0 110.724 178.685 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1966 ' ' ALA . . . . . . . . . . . . . . . -61.71 -46.47 89.51 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.85 -0.614 . . . . 0.0 111.724 -178.069 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1967 ' ' ALA . . . . . . . . . . . . . . . -59.7 -42.57 93.33 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.022 0.439 . . . . 0.0 111.411 -177.561 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1968 ' ' LEU . . . . . 0.688 HD11 ' HG3' ' A' 1857 ' ' MET . 60.9 mt -69.04 -39.86 78.92 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.175 -178.043 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1969 ' ' GLN . . . . . . . . . . . . . 75.7 mt-30 . . . . . 0 C--N 1.326 -0.441 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.442 -176.843 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A 1850 ' ' PHE . . . . . 0.424 ' HA ' ' HD2' ' A' 1853 ' ' TYR . 77.1 t80 . . . . . 0 C--O 1.23 0.058 0 CA-C-O 121.256 0.55 . . . . 0.0 110.395 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1851 ' ' VAL . . . . . . . . . . . . . 18.8 m -59.1 -32.27 47.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 115.229 -0.896 . . . . 0.0 112.391 -177.77 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1852 ' ' ASP . . . . . . . . . . . . . 27.8 t70 -74.47 -47.59 32.48 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.763 0.316 . . . . 0.0 110.534 -177.667 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1853 ' ' TYR . . . . . 0.491 ' O ' ' HG2' ' A' 1857 ' ' MET . 27.3 m-85 -63.04 -44.38 96.03 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 109.185 -0.672 . . . . 0.0 109.185 177.695 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1854 ' ' GLN . . . . . 0.803 ' HG3' ' HB3' ' A' 1968 ' ' LEU . 24.4 tt0 -50.21 -59.97 3.43 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 115.2 -0.909 . . . . 0.0 110.66 175.757 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1855 ' ' THR . . . . . 0.776 ' O ' ' HG2' ' A' 1859 ' ' ARG . 27.7 m -58.73 -36.25 74.0 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.996 -178.46 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1856 ' ' THR . . . . . . . . . . . . . 1.3 m -63.43 -58.2 7.81 Favored 'General case' 0 N--CA 1.441 -0.922 0 N-CA-C 112.24 0.459 . . . . 0.0 112.24 -178.284 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1857 ' ' MET . . . . . 0.491 ' HG2' ' O ' ' A' 1853 ' ' TYR . 6.1 ptm -77.13 -18.06 58.18 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 111.94 0.348 . . . . 0.0 111.94 -171.136 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1858 ' ' VAL . . . . . 0.504 ' O ' ' HG3' ' A' 1862 ' ' LYS . 26.3 m -72.25 -31.7 40.13 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.112 0 C-N-CA 119.657 -0.817 . . . . 0.0 109.662 171.697 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1859 ' ' ARG . . . . . 0.776 ' HG2' ' O ' ' A' 1855 ' ' THR . 17.5 mmt180 -70.96 -36.47 72.57 Favored 'General case' 0 CA--C 1.52 -0.188 0 N-CA-C 109.211 -0.662 . . . . 0.0 109.211 174.636 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1860 ' ' THR . . . . . 0.483 HG21 ' HB2' ' A' 1896 ' ' LEU . 9.9 m -61.5 -45.04 95.88 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.334 -0.848 . . . . 0.0 110.42 177.317 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1861 ' ' ALA . . . . . 0.46 ' HB1' ' HB ' ' A' 1961 ' ' VAL . . . -59.52 -40.88 88.6 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.761 178.087 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1862 ' ' LYS . . . . . 0.504 ' HG3' ' O ' ' A' 1858 ' ' VAL . 56.9 mttm -64.73 -43.12 94.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.497 177.669 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1863 ' ' ALA . . . . . . . . . . . . . . . -61.56 -41.87 98.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.47 178.672 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1864 ' ' ILE . . . . . 0.636 ' O ' HG13 ' A' 1868 ' ' VAL . 68.5 mt -63.91 -46.07 95.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.469 176.135 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1865 ' ' ALA . . . . . 0.838 ' HB2' HG21 ' A' 1961 ' ' VAL . . . -58.66 -41.0 85.09 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 112.179 0.437 . . . . 0.0 112.179 -177.735 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1866 ' ' VAL . . . . . . . . . . . . . 12.1 p -72.78 -32.68 41.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 C-N-CA 120.358 -0.537 . . . . 0.0 110.234 179.588 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1867 ' ' THR . . . . . 0.68 ' O ' ' HG3' ' A' 1871 ' ' MET . 86.0 m -63.28 -54.33 38.97 Favored 'General case' 0 C--N 1.332 -0.19 0 C-N-CA 121.31 -0.156 . . . . 0.0 110.733 177.118 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1868 ' ' VAL . . . . . 0.636 HG13 ' O ' ' A' 1864 ' ' ILE . 3.3 m -58.05 -32.65 44.47 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.221 0 CA-C-O 121.662 0.744 . . . . 0.0 110.39 -177.769 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1869 ' ' GLN . . . . . . . . . . . . . 55.1 tp60 -78.21 -33.83 49.7 Favored 'General case' 0 N--CA 1.423 -1.786 0 CA-C-N 115.0 -1.0 . . . . 0.0 110.39 -178.024 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1870 ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 -65.22 -40.86 94.68 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 110.024 -0.361 . . . . 0.0 110.024 171.672 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1871 ' ' MET . . . . . 0.68 ' HG3' ' O ' ' A' 1867 ' ' THR . 52.3 mtp -58.02 -42.45 85.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.863 -178.889 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1872 ' ' VAL . . . . . 0.766 ' HB ' HG13 ' A' 1951 ' ' ILE . 15.5 m -77.14 -28.47 16.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.437 179.888 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1873 ' ' THR . . . . . . . . . . . . . 87.2 m -73.49 -44.85 56.92 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.045 0.45 . . . . 0.0 110.766 177.945 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1874 ' ' LYS . . . . . . . . . . . . . 69.7 mmtt -66.91 -38.35 86.05 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.679 -177.897 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1875 ' ' SER . . . . . 0.56 ' HB3' HD11 ' A' 1882 ' ' LEU . 4.4 p -62.73 -9.96 11.06 Favored 'General case' 0 CA--C 1.534 0.329 0 N-CA-C 113.153 0.797 . . . . 0.0 113.153 -172.32 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1876 ' ' ASN . . . . . . . . . . . . . 60.5 m-80 -69.79 -29.75 67.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.796 0.332 . . . . 0.0 110.54 177.732 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1877 ' ' THR . . . . . . . . . . . . . 25.1 p -133.28 -32.76 1.16 Allowed 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 112.391 0.515 . . . . 0.0 112.391 -177.11 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1878 ' ' SER . . . . . . . . . . . . . 54.8 m -124.02 109.25 29.77 Favored Pre-proline 0 C--N 1.325 -0.471 0 CA-C-O 120.785 0.326 . . . . 0.0 111.693 -170.716 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1879 ' ' PRO . . . . . 0.918 ' HA ' HD12 ' A' 1882 ' ' LEU . 34.0 Cg_endo -91.83 -14.35 1.55 Allowed 'Trans proline' 0 N--CA 1.443 -1.466 0 C-N-CA 122.183 1.922 . . . . 0.0 112.64 174.678 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1880 ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -77.03 -33.02 57.43 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.884 0.374 . . . . 0.0 110.468 177.36 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1881 ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -61.73 -15.37 40.15 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.842 177.105 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1882 ' ' LEU . . . . . 0.918 HD12 ' HA ' ' A' 1879 ' ' PRO . 0.6 OUTLIER -81.85 -7.51 59.61 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.309 -0.859 . . . . 0.0 112.018 -175.038 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A 1883 ' ' GLY . . . . . . . . . . . . . . . -71.7 -60.34 4.34 Favored Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 120.722 -0.752 . . . . 0.0 111.683 176.09 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1884 ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -55.67 -36.87 95.62 Favored 'Trans proline' 0 C--N 1.347 0.473 0 C-N-CA 122.612 2.208 . . . . 0.0 112.177 177.169 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1885 ' ' LEU . . . . . 0.509 ' HB3' ' HG2' ' A' 1871 ' ' MET . 94.8 mt -67.68 -42.57 81.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.636 -178.077 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1886 ' ' ALA . . . . . . . . . . . . . . . -62.22 -46.67 87.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.052 0.454 . . . . 0.0 110.185 177.95 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1887 ' ' ASN . . . . . . . . . . . . . 4.5 m-20 -62.2 -34.77 77.09 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.584 -0.734 . . . . 0.0 110.69 177.475 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1888 ' ' GLN . . . . . . . . . . . . . 17.8 tp60 -70.48 -48.95 53.31 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.841 -177.634 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1889 ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -56.98 -47.17 81.4 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.303 -0.629 . . . . 0.0 109.303 177.915 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1890 ' ' THR . . . . . . . . . . . . . 52.8 m -59.46 -43.29 93.22 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.106 -0.952 . . . . 0.0 111.13 179.212 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1891 ' ' SER . . . . . . . . . . . . . 32.6 t -65.39 -47.63 75.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.488 -0.324 . . . . 0.0 111.19 -178.516 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1892 ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -66.58 -36.21 82.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.594 -0.275 . . . . 0.0 111.179 -177.518 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1893 ' ' TYR . . . . . . . . . . . . . 36.4 t80 -59.29 -40.75 87.12 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.625 0.25 . . . . 0.0 110.744 177.011 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1894 ' ' GLY . . . . . . . . . . . . . . . -58.33 -37.04 86.24 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.789 -0.719 . . . . 0.0 111.729 178.219 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1895 ' ' ARG . . . . . . . . . . . . . 13.4 ttp180 -70.28 -46.72 63.76 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.922 0.391 . . . . 0.0 110.174 177.669 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1896 ' ' LEU . . . . . 0.485 HD12 ' HB2' ' A' 1857 ' ' MET . 47.5 tp -56.77 -50.66 71.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.696 -0.684 . . . . 0.0 111.504 179.603 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1897 ' ' ALA . . . . . . . . . . . . . . . -64.47 -24.22 67.54 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.82 -176.281 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1898 ' ' SER . . . . . . . . . . . . . 54.1 m -81.34 -41.81 21.48 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.794 0.33 . . . . 0.0 110.438 -175.929 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1899 ' ' GLN . . . . . 0.429 ' HA ' ' OE1' ' A' 1899 ' ' GLN . 16.9 mm-40 -69.21 -12.47 61.7 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.887 -179.561 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1900 ' ' ALA . . . . . 0.402 ' HA ' ' HE1' ' A' 1857 ' ' MET . . . -66.68 -27.21 67.47 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.219 177.842 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1901 ' ' LYS . . . . . 0.492 ' HB3' ' HD3' ' A' 1902 ' ' PRO . 1.7 tmtp? -75.58 -58.39 1.42 Allowed Pre-proline 0 CA--C 1.54 0.584 0 C-N-CA 120.818 -0.353 . . . . 0.0 111.029 -177.471 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1902 ' ' PRO . . . . . 0.492 ' HD3' ' HB3' ' A' 1901 ' ' LYS . 36.6 Cg_endo -66.07 -23.47 53.48 Favored 'Trans proline' 0 C--N 1.356 0.932 0 C-N-CA 122.043 1.829 . . . . 0.0 112.762 -178.658 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1903 ' ' ALA . . . . . . . . . . . . . . . -76.05 -31.84 59.01 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.975 0.417 . . . . 0.0 110.596 177.074 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1904 ' ' ALA . . . . . . . . . . . . . . . -71.77 -31.04 66.21 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.746 -176.348 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1905 ' ' VAL . . . . . . . . . . . . . 35.2 m -92.21 2.49 8.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 115.802 -0.635 . . . . 0.0 111.388 -178.57 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1906 ' ' ALA . . . . . . . . . . . . . . . -119.26 -2.41 10.67 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.847 178.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1907 ' ' ALA . . . . . . . . . . . . . . . -75.0 136.73 41.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.956 -178.378 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1908 ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -60.9 -26.05 67.17 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.904 -0.589 . . . . 0.0 112.382 -177.894 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1909 ' ' ASN . . . . . 0.49 ' OD1' ' HG3' ' A' 1911 ' ' GLU . 14.1 t-20 -137.14 151.5 48.9 Favored 'General case' 0 C--N 1.323 -0.549 0 C-N-CA 120.706 -0.398 . . . . 0.0 111.412 -172.855 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1910 ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -47.77 -53.82 14.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.241 -0.89 . . . . 0.0 111.035 173.316 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1911 ' ' GLU . . . . . 0.49 ' HG3' ' OD1' ' A' 1909 ' ' ASN . 28.4 mt-10 -54.82 -56.67 16.9 Favored 'General case' 0 CA--C 1.515 -0.377 0 CA-C-O 121.296 0.57 . . . . 0.0 111.098 -177.371 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1912 ' ' ILE . . . . . 0.484 HD12 ' CB ' ' A' 1909 ' ' ASN . 35.6 mt -53.2 -39.58 34.93 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.739 0 CA-C-N 114.575 -1.193 . . . . 0.0 111.282 -177.137 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1913 ' ' GLY . . . . . 0.418 ' HA2' HD12 ' A' 1916 ' ' ILE . . . -81.32 -29.97 38.84 Favored Glycine 0 N--CA 1.448 -0.52 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.767 179.04 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1914 ' ' ALA . . . . . . . . . . . . . . . -74.52 -38.92 62.67 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.68 0.276 . . . . 0.0 111.039 -177.28 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1915 ' ' HIS . . . . . 0.49 ' O ' ' HG2' ' A' 1919 ' ' ARG . 87.0 m-70 -62.39 -31.7 72.42 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.637 -179.161 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1916 ' ' ILE . . . . . 0.434 HG13 ' O ' ' A' 1912 ' ' ILE . 82.5 mt -56.06 -58.38 5.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.14 178.688 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1917 ' ' LYS . . . . . 0.411 ' HE2' ' HB2' ' A' 1917 ' ' LYS . 3.8 mppt? -65.1 -26.82 68.38 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-O 120.947 0.404 . . . . 0.0 111.326 -177.131 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1918 ' ' HIS . . . . . 0.418 ' O ' ' HG2' ' A' 1922 ' ' GLU . 0.2 OUTLIER -72.42 -41.41 66.23 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.752 0.31 . . . . 0.0 110.909 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A 1919 ' ' ARG . . . . . 0.49 ' HG2' ' O ' ' A' 1915 ' ' HIS . 23.5 mmt180 -81.5 -26.41 35.18 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 112.126 0.417 . . . . 0.0 112.126 -173.963 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1920 ' ' VAL . . . . . . . . . . . . . 34.9 m -72.42 -31.85 39.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 C-N-CA 120.227 -0.589 . . . . 0.0 110.184 175.602 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1921 ' ' GLN . . . . . . . . . . . . . 23.6 tp60 -67.03 -29.72 69.61 Favored 'General case' 0 C--O 1.236 0.373 0 CA-C-O 121.281 0.563 . . . . 0.0 109.939 176.142 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1922 ' ' GLU . . . . . 0.734 ' HB3' ' HD2' ' A' 1960 ' ' LYS . 11.6 mm-40 -59.95 -53.48 57.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.536 -0.757 . . . . 0.0 110.669 176.694 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1923 ' ' LEU . . . . . . . . . . . . . 49.0 mt -67.12 -24.0 65.88 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.754 178.941 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1924 ' ' GLY . . . . . . . . . . . . . . . -60.53 -40.54 97.92 Favored Glycine 0 N--CA 1.453 -0.209 0 C-N-CA 121.07 -0.585 . . . . 0.0 112.212 175.216 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1925 ' ' HIS . . . . . . . . . . . . . 39.4 m80 -76.11 -33.3 59.46 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.176 0.512 . . . . 0.0 109.936 177.588 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1926 ' ' GLY . . . . . 0.408 ' HA3' HG12 ' A' 1957 ' ' VAL . . . -72.38 -52.7 9.96 Favored Glycine 0 N--CA 1.447 -0.627 0 CA-C-N 115.522 -0.763 . . . . 0.0 113.196 -176.735 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1927 ' ' CYS . . . . . . . . . . . . . 24.1 p -60.15 -44.66 94.79 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.861 0.331 . . . . 0.0 111.117 -176.467 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1928 ' ' SER . . . . . . . . . . . . . 40.4 t -58.37 -42.34 86.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.635 -179.719 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1929 ' ' ALA . . . . . . . . . . . . . . . -70.55 -43.77 68.85 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.915 0.388 . . . . 0.0 110.803 178.377 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1930 ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -63.34 -48.37 78.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.207 -177.022 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1931 ' ' VAL . . . . . . . . . . . . . 32.5 m -64.86 -28.86 45.78 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 CA-C-O 120.755 0.312 . . . . 0.0 110.949 -177.746 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1932 ' ' THR . . . . . . . . . . . . . 58.7 m -68.93 -40.84 78.78 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.192 176.178 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1933 ' ' LYS . . . . . . . . . . . . . 72.5 mmtt -71.59 -35.66 70.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.339 178.324 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1934 ' ' ALA . . . . . . . . . . . . . . . -61.62 -48.33 81.36 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.381 175.309 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1935 ' ' GLY . . . . . . . . . . . . . . . -67.77 -32.63 78.32 Favored Glycine 0 N--CA 1.449 -0.47 0 C-N-CA 121.058 -0.592 . . . . 0.0 112.269 178.395 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1936 ' ' ALA . . . . . . . . . . . . . . . -67.79 -47.13 69.98 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.605 0.24 . . . . 0.0 110.793 178.045 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1937 ' ' LEU . . . . . 0.425 ' HB2' HG22 ' A' 1946 ' ' THR . 20.3 tp -69.92 -29.14 66.23 Favored 'General case' 0 CA--C 1.514 -0.413 0 CA-C-O 121.171 0.51 . . . . 0.0 110.531 179.662 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1938 ' ' GLN . . . . . 0.554 ' HA ' ' HB2' ' A' 1879 ' ' PRO . 29.1 tt0 -68.8 -28.62 66.93 Favored 'General case' 0 N--CA 1.443 -0.813 0 N-CA-C 109.558 -0.534 . . . . 0.0 109.558 177.591 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1939 ' ' CYS . . . . . . . . . . . . . 41.9 t -80.8 -48.27 12.7 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.661 -0.699 . . . . 0.0 109.954 175.491 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1940 ' ' SER . . . . . . . . . . . . . 24.5 m -112.9 90.63 15.92 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.098 176.906 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1941 ' ' PRO . . . . . 0.419 ' HB3' ' HG3' ' A' 1879 ' ' PRO . 94.2 Cg_endo -80.57 -8.13 13.64 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.568 2.179 . . . . 0.0 113.614 -172.543 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1942 ' ' SER . . . . . . . . . . . . . 9.7 t -106.96 -6.64 17.4 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.748 0.308 . . . . 0.0 110.84 -176.12 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1943 ' ' ASP . . . . . . . . . . . . . 18.1 t70 -81.78 107.48 14.55 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.886 0.374 . . . . 0.0 110.149 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1944 ' ' VAL . . . . . . . . . . . . . 11.1 p -67.59 -33.62 63.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.09 -175.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1945 ' ' TYR . . . . . . . . . . . . . 95.5 m-85 -60.43 -43.7 96.52 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.935 0.398 . . . . 0.0 110.311 -178.293 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1946 ' ' THR . . . . . 0.425 HG22 ' HB2' ' A' 1937 ' ' LEU . 63.7 m -60.17 -41.06 92.04 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.663 176.191 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1947 ' ' LYS . . . . . . . . . . . . . 18.1 ttpt -63.33 -44.66 94.25 Favored 'General case' 0 N--CA 1.455 -0.196 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.458 -179.132 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1948 ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -60.94 -41.89 97.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.507 -0.315 . . . . 0.0 110.442 -176.453 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1949 ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -60.77 -28.71 68.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.828 178.779 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1950 ' ' LEU . . . . . 0.48 HD11 HD22 ' A' 1882 ' ' LEU . 6.4 tt -74.78 -54.91 6.46 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.113 179.497 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1951 ' ' ILE . . . . . 0.766 HG13 ' HB ' ' A' 1872 ' ' VAL . 2.1 mp -61.76 -48.08 90.33 Favored 'Isoleucine or valine' 0 C--O 1.234 0.285 0 CA-C-O 120.989 0.423 . . . . 0.0 111.122 -178.447 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1952 ' ' GLU . . . . . 0.588 ' O ' ' HG2' ' A' 1956 ' ' ARG . 33.5 mt-10 -68.2 -19.0 64.73 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.706 -175.401 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1953 ' ' CYS . . . . . . . . . . . . . 10.1 t -88.01 -36.55 16.95 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 121.004 -0.278 . . . . 0.0 110.754 178.96 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1954 ' ' ALA . . . . . 0.415 ' O ' HG22 ' A' 1957 ' ' VAL . . . -63.06 -33.58 75.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.048 0.451 . . . . 0.0 111.172 -178.948 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1955 ' ' ARG . . . . . . . . . . . . . 6.9 ptm180 -72.24 -22.58 61.22 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.626 177.464 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1956 ' ' ARG . . . . . 0.588 ' HG2' ' O ' ' A' 1952 ' ' GLU . 24.6 mmm180 -75.33 -38.83 59.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.198 0.523 . . . . 0.0 109.606 177.289 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1957 ' ' VAL . . . . . 0.549 ' O ' HG13 ' A' 1961 ' ' VAL . 6.6 m -79.83 -26.3 12.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.247 -177.231 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1958 ' ' SER . . . . . 0.531 ' O ' HG22 ' A' 1961 ' ' VAL . 6.8 p -64.39 -24.74 67.74 Favored 'General case' 0 CA--C 1.532 0.255 0 CA-C-O 121.182 0.515 . . . . 0.0 110.258 177.154 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1959 ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -70.03 -40.99 74.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.21 0.529 . . . . 0.0 110.211 172.204 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1960 ' ' LYS . . . . . 0.734 ' HD2' ' HB3' ' A' 1922 ' ' GLU . 72.1 mmtt -66.43 -37.76 85.9 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.859 -175.675 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1961 ' ' VAL . . . . . 0.838 HG21 ' HB2' ' A' 1865 ' ' ALA . 2.8 m -63.56 -35.11 71.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 120.938 0.399 . . . . 0.0 110.142 -179.829 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1962 ' ' SER . . . . . 0.525 ' HA ' HD12 ' A' 1965 ' ' LEU . 46.8 t -69.32 -27.55 65.47 Favored 'General case' 0 N--CA 1.452 -0.355 0 CA-C-N 115.921 -0.581 . . . . 0.0 109.937 177.804 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1963 ' ' HIS . . . . . . . . . . . . . 56.5 m170 -75.63 -31.39 59.85 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.916 -0.583 . . . . 0.0 110.101 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1964 ' ' VAL . . . . . 0.436 ' O ' HD23 ' A' 1968 ' ' LEU . 94.9 t -63.69 -43.37 98.04 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.226 0 N-CA-C 109.091 -0.707 . . . . 0.0 109.091 171.848 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1965 ' ' LEU . . . . . 0.592 ' HG ' ' O ' ' A' 1961 ' ' VAL . 63.0 mt -57.73 -47.52 82.22 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.369 -0.832 . . . . 0.0 110.456 178.498 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1966 ' ' ALA . . . . . . . . . . . . . . . -67.83 -42.61 81.19 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.757 -178.946 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1967 ' ' ALA . . . . . . . . . . . . . . . -60.56 -46.59 89.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.454 -177.538 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1968 ' ' LEU . . . . . 0.803 ' HB3' ' HG3' ' A' 1854 ' ' GLN . 4.2 mm? -73.26 -38.36 66.0 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.497 -177.906 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1969 ' ' GLN . . . . . . . . . . . . . 46.6 mt-30 . . . . . 0 C--O 1.235 0.329 0 CA-C-O 121.03 0.443 . . . . 0.0 111.232 -177.028 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A 1850 ' ' PHE . . . . . . . . . . . . . 86.5 t80 . . . . . 0 CA--C 1.527 0.067 0 CA-C-O 120.765 0.317 . . . . 0.0 111.595 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A 1851 ' ' VAL . . . . . . . . . . . . . 16.8 m -57.98 -29.97 37.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 N-CA-C 112.63 0.604 . . . . 0.0 112.63 -175.8 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1852 ' ' ASP . . . . . . . . . . . . . 15.7 m-20 -70.17 -51.85 27.99 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 121.042 0.449 . . . . 0.0 110.358 -179.624 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1853 ' ' TYR . . . . . . . . . . . . . 10.0 m-85 -69.81 -33.47 72.38 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.62 -0.718 . . . . 0.0 109.866 -179.039 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1854 ' ' GLN . . . . . 1.014 ' HG3' ' HB3' ' A' 1968 ' ' LEU . 54.3 tt0 -55.65 -58.25 8.6 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.225 -0.898 . . . . 0.0 110.704 176.954 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1855 ' ' THR . . . . . 0.498 ' O ' ' HG2' ' A' 1859 ' ' ARG . 14.5 m -60.34 -26.75 66.81 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.556 -0.747 . . . . 0.0 111.051 -178.604 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1856 ' ' THR . . . . . 0.505 HG21 ' HG3' ' A' 1899 ' ' GLN . 1.2 m -71.51 -58.58 3.37 Favored 'General case' 0 N--CA 1.444 -0.745 0 N-CA-C 112.475 0.546 . . . . 0.0 112.475 -176.57 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1857 ' ' MET . . . . . 0.699 ' SD ' HD21 ' A' 1968 ' ' LEU . 5.9 ptp -76.94 -18.77 58.04 Favored 'General case' 0 C--N 1.331 -0.229 0 C-N-CA 120.292 -0.563 . . . . 0.0 111.958 -170.27 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1858 ' ' VAL . . . . . 0.455 ' O ' ' HG3' ' A' 1862 ' ' LYS . 23.9 m -66.63 -34.27 68.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 C-N-CA 119.683 -0.807 . . . . 0.0 109.216 173.111 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1859 ' ' ARG . . . . . 0.498 ' HG2' ' O ' ' A' 1855 ' ' THR . 25.7 mmm180 -69.99 -44.65 68.95 Favored 'General case' 0 CA--C 1.52 -0.182 0 CA-C-N 116.105 -0.498 . . . . 0.0 109.938 176.563 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1860 ' ' THR . . . . . . . . . . . . . 6.3 m -61.41 -41.05 96.54 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.846 179.483 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1861 ' ' ALA . . . . . . . . . . . . . . . -63.15 -42.21 99.4 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.442 -0.345 . . . . 0.0 110.88 178.287 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1862 ' ' LYS . . . . . 0.455 ' HG3' ' O ' ' A' 1858 ' ' VAL . 59.1 mttm -62.71 -36.48 83.08 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.291 177.333 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1863 ' ' ALA . . . . . . . . . . . . . . . -66.58 -44.7 81.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.299 178.733 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1864 ' ' ILE . . . . . . . . . . . . . 77.9 mt -60.56 -42.81 92.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.147 176.159 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1865 ' ' ALA . . . . . 0.704 ' HB2' HG21 ' A' 1961 ' ' VAL . . . -60.12 -40.4 89.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.891 -179.433 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1866 ' ' VAL . . . . . 0.639 ' HA ' ' HG2' ' A' 1869 ' ' GLN . 8.3 p -78.38 -29.73 15.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 C-N-CA 120.322 -0.551 . . . . 0.0 110.528 179.551 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1867 ' ' THR . . . . . 0.636 ' O ' ' HG3' ' A' 1871 ' ' MET . 62.7 m -65.35 -51.0 63.47 Favored 'General case' 0 C--N 1.332 -0.186 0 C-N-CA 120.996 -0.281 . . . . 0.0 110.412 174.812 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1868 ' ' VAL . . . . . 0.481 ' O ' HG13 ' A' 1872 ' ' VAL . 32.6 m -63.13 -36.19 74.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.473 -0.33 . . . . 0.0 111.023 -177.839 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1869 ' ' GLN . . . . . 0.639 ' HG2' ' HA ' ' A' 1866 ' ' VAL . 6.6 pt20 -72.58 -30.57 64.5 Favored 'General case' 0 N--CA 1.452 -0.351 0 C-N-CA 120.498 -0.481 . . . . 0.0 110.116 179.457 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1870 ' ' GLU . . . . . 0.647 ' O ' ' HG2' ' A' 1874 ' ' LYS . 24.9 mt-10 -60.97 -44.09 97.83 Favored 'General case' 0 CA--C 1.515 -0.376 0 N-CA-C 109.812 -0.44 . . . . 0.0 109.812 172.662 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1871 ' ' MET . . . . . 0.636 ' HG3' ' O ' ' A' 1867 ' ' THR . 35.5 mtp -57.94 -43.23 86.2 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.961 -177.444 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1872 ' ' VAL . . . . . 0.844 ' HB ' HG13 ' A' 1951 ' ' ILE . 1.5 m -69.12 -29.07 41.62 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.317 0 CA-C-O 121.479 0.657 . . . . 0.0 110.555 179.357 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1873 ' ' THR . . . . . . . . . . . . . 91.8 m -77.81 -45.77 23.48 Favored 'General case' 0 N--CA 1.443 -0.822 0 CA-C-N 114.882 -1.054 . . . . 0.0 110.98 -178.463 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1874 ' ' LYS . . . . . 0.647 ' HG2' ' O ' ' A' 1870 ' ' GLU . 33.8 mmtp -67.48 -31.61 71.86 Favored 'General case' 0 C--O 1.219 -0.537 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.241 -176.186 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1875 ' ' SER . . . . . . . . . . . . . 46.4 m -63.38 -5.81 4.03 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 112.232 0.456 . . . . 0.0 112.232 -176.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1876 ' ' ASN . . . . . . . . . . . . . 87.2 m-20 -88.43 -23.78 23.21 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.751 -0.204 . . . . 0.0 111.133 179.142 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1877 ' ' THR . . . . . . . . . . . . . 16.9 p -136.83 -43.35 0.59 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.929 0.395 . . . . 0.0 111.788 -176.873 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1878 ' ' SER . . . . . 0.419 ' HB3' ' HG2' ' A' 1881 ' ' GLU . 64.5 m -111.41 90.77 12.63 Favored Pre-proline 0 C--N 1.322 -0.611 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.974 -176.66 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1879 ' ' PRO . . . . . 0.887 ' HA ' HD12 ' A' 1882 ' ' LEU . 12.3 Cg_endo -94.02 15.45 1.27 Allowed 'Trans proline' 0 N--CA 1.447 -1.25 0 C-N-CA 122.185 1.923 . . . . 0.0 111.769 176.677 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1880 ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -111.22 -17.72 13.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.959 -0.564 . . . . 0.0 112.314 179.6 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1881 ' ' GLU . . . . . 0.419 ' HG2' ' HB3' ' A' 1878 ' ' SER . 8.6 pt-20 -90.77 -10.83 41.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.137 0.494 . . . . 0.0 111.051 179.222 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1882 ' ' LEU . . . . . 0.887 HD12 ' HA ' ' A' 1879 ' ' PRO . 0.8 OUTLIER -59.61 -30.46 68.71 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 113.02 0.748 . . . . 0.0 113.02 -177.205 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A 1883 ' ' GLY . . . . . . . . . . . . . . . -57.01 -60.78 8.41 Favored Glycine 0 CA--C 1.519 0.33 0 C-N-CA 120.898 -0.667 . . . . 0.0 112.055 176.242 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1884 ' ' PRO . . . . . . . . . . . . . 71.0 Cg_exo -49.68 -44.08 37.29 Favored 'Trans proline' 0 C--N 1.347 0.451 0 C-N-CA 122.767 2.311 . . . . 0.0 112.454 171.668 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1885 ' ' LEU . . . . . 0.567 HD11 ' HG3' ' A' 1874 ' ' LYS . 64.9 mt -60.55 -41.37 94.38 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.799 0.333 . . . . 0.0 111.318 -179.788 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1886 ' ' ALA . . . . . 0.419 ' HB1' ' HB ' ' A' 1931 ' ' VAL . . . -64.22 -41.79 96.86 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.128 0.49 . . . . 0.0 110.372 177.527 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1887 ' ' ASN . . . . . . . . . . . . . 52.0 t30 -63.73 -39.02 93.27 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.84 -0.618 . . . . 0.0 109.864 176.313 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1888 ' ' GLN . . . . . . . . . . . . . 22.9 tp60 -61.23 -49.44 77.11 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.415 -0.811 . . . . 0.0 110.796 179.103 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1889 ' ' LEU . . . . . . . . . . . . . 1.1 tt -56.2 -49.86 72.89 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 176.753 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1890 ' ' THR . . . . . . . . . . . . . 82.2 m -57.44 -37.61 73.09 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.005 -0.998 . . . . 0.0 111.533 -179.451 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1891 ' ' SER . . . . . . . . . . . . . 52.5 m -67.29 -45.38 76.74 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.552 -177.613 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1892 ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -77.2 -25.3 51.63 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 112.198 0.444 . . . . 0.0 112.198 -175.504 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1893 ' ' TYR . . . . . . . . . . . . . 47.7 t80 -60.03 -39.53 86.17 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 120.366 -0.534 . . . . 0.0 110.424 174.781 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1894 ' ' GLY . . . . . . . . . . . . . . . -60.48 -35.99 90.22 Favored Glycine 0 C--O 1.229 -0.211 0 C-N-CA 120.961 -0.638 . . . . 0.0 111.957 178.461 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1895 ' ' ARG . . . . . . . . . . . . . 10.3 ttm180 -67.99 -45.89 72.85 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.277 0.561 . . . . 0.0 109.786 177.259 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1896 ' ' LEU . . . . . 0.538 HD11 HG11 ' A' 1964 ' ' VAL . 43.0 tp -59.66 -57.08 14.48 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.118 -0.946 . . . . 0.0 111.847 -178.445 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1897 ' ' ALA . . . . . . . . . . . . . . . -64.68 -24.43 67.57 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.951 -0.568 . . . . 0.0 112.398 -172.582 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1898 ' ' SER . . . . . . . . . . . . . 67.8 m -80.22 -31.17 38.62 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.898 0.38 . . . . 0.0 110.84 -173.696 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1899 ' ' GLN . . . . . 0.505 ' HG3' HG21 ' A' 1856 ' ' THR . 21.0 mm-40 -79.18 -6.26 56.15 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.852 -179.474 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1900 ' ' ALA . . . . . . . . . . . . . . . -72.15 -30.87 65.44 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.684 177.197 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1901 ' ' LYS . . . . . 0.412 ' HB3' ' HD3' ' A' 1902 ' ' PRO . 56.5 tptt -62.43 -58.23 18.32 Favored Pre-proline 0 CA--C 1.538 0.504 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.701 -178.636 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1902 ' ' PRO . . . . . 0.412 ' HD3' ' HB3' ' A' 1901 ' ' LYS . 48.7 Cg_endo -68.75 -23.01 36.27 Favored 'Trans proline' 0 C--N 1.355 0.907 0 C-N-CA 121.852 1.701 . . . . 0.0 112.453 -178.747 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1903 ' ' ALA . . . . . . . . . . . . . . . -76.29 -39.48 54.11 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.95 179.606 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1904 ' ' ALA . . . . . . . . . . . . . . . -72.84 -31.69 64.95 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.839 -175.385 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1905 ' ' VAL . . . . . . . . . . . . . 35.2 m -82.37 -21.18 9.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.984 179.522 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1906 ' ' ALA . . . . . . . . . . . . . . . -82.28 -39.7 22.57 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.878 0.37 . . . . 0.0 110.294 177.19 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1907 ' ' ALA . . . . . . . . . . . . . . . -64.84 117.54 7.69 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.943 179.097 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1908 ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -65.4 -40.24 93.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.673 -0.694 . . . . 0.0 111.401 179.791 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1909 ' ' ASN . . . . . 0.734 ' HB3' HG13 ' A' 1912 ' ' ILE . 49.1 t-20 -74.43 129.05 37.05 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.026 -178.071 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1910 ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -47.83 -50.45 26.13 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.335 -0.848 . . . . 0.0 111.791 178.481 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1911 ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -70.06 -31.72 69.47 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.777 -0.647 . . . . 0.0 112.542 -170.121 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1912 ' ' ILE . . . . . 0.734 HG13 ' HB3' ' A' 1909 ' ' ASN . 62.1 mt -55.35 -54.5 24.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 C-N-CA 120.735 -0.386 . . . . 0.0 110.791 -177.95 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1913 ' ' GLY . . . . . . . . . . . . . . . -73.46 -32.84 59.32 Favored Glycine 0 N--CA 1.447 -0.572 0 C-N-CA 120.646 -0.788 . . . . 0.0 112.034 -178.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1914 ' ' ALA . . . . . . . . . . . . . . . -66.09 -41.64 90.39 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.733 0.302 . . . . 0.0 110.347 -178.709 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1915 ' ' HIS . . . . . 0.638 ' O ' ' HG2' ' A' 1919 ' ' ARG . 60.0 m-70 -60.38 -50.44 73.58 Favored 'General case' 0 CA--C 1.515 -0.378 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.652 178.79 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1916 ' ' ILE . . . . . . . . . . . . . 85.7 mt -50.93 -53.2 14.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.643 178.214 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1917 ' ' LYS . . . . . 0.514 ' HA ' HG22 ' A' 1920 ' ' VAL . 18.8 mtpp -63.32 -36.43 83.66 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.463 -0.789 . . . . 0.0 111.928 -178.212 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1918 ' ' HIS . . . . . . . . . . . . . 40.4 m-70 -69.12 -30.83 69.19 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.998 0.428 . . . . 0.0 111.499 178.375 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1919 ' ' ARG . . . . . 0.638 ' HG2' ' O ' ' A' 1915 ' ' HIS . 0.3 OUTLIER -81.84 -37.64 26.7 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.589 -0.278 . . . . 0.0 111.095 -177.658 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A 1920 ' ' VAL . . . . . 0.514 HG22 ' HA ' ' A' 1917 ' ' LYS . 30.2 m -68.45 -27.27 35.96 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.172 0 N-CA-C 109.787 -0.449 . . . . 0.0 109.787 174.621 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1921 ' ' GLN . . . . . . . . . . . . . 30.4 mt-30 -58.39 -54.07 51.12 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-O 121.211 0.529 . . . . 0.0 110.233 170.369 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1922 ' ' GLU . . . . . 1.02 ' HB3' ' HD3' ' A' 1960 ' ' LYS . 51.9 mm-40 -56.51 -40.28 74.75 Favored 'General case' 0 N--CA 1.45 -0.45 0 CA-C-N 115.372 -0.831 . . . . 0.0 111.213 -179.628 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1923 ' ' LEU . . . . . . . . . . . . . 66.9 mt -73.0 -27.71 61.94 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.092 -0.503 . . . . 0.0 111.486 179.313 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1924 ' ' GLY . . . . . . . . . . . . . . . -62.24 -57.57 16.36 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.665 -0.779 . . . . 0.0 112.31 -179.864 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1925 ' ' HIS . . . . . 0.468 ' NE2' ' HA ' ' A' 1922 ' ' GLU . 2.6 p-80 -78.46 -18.44 54.87 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.801 0.334 . . . . 0.0 111.326 178.218 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1926 ' ' GLY . . . . . . . . . . . . . . . -76.06 -48.73 9.38 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.758 179.141 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1927 ' ' CYS . . . . . . . . . . . . . 63.4 m -69.06 -32.67 72.31 Favored 'General case' 0 C--N 1.329 -0.324 0 O-C-N 122.763 -0.257 . . . . 0.0 111.155 -177.365 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1928 ' ' SER . . . . . . . . . . . . . 13.4 p -63.99 -23.64 67.41 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.903 0.382 . . . . 0.0 110.787 179.801 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1929 ' ' ALA . . . . . . . . . . . . . . . -77.39 -43.85 31.3 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.131 0.491 . . . . 0.0 110.105 176.079 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1930 ' ' LEU . . . . . 0.437 ' HG ' ' HB3' ' A' 1953 ' ' CYS . 0.5 OUTLIER -62.73 -47.88 81.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.465 -178.373 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A 1931 ' ' VAL . . . . . 0.419 ' HB ' ' HB1' ' A' 1886 ' ' ALA . 31.5 m -62.91 -30.84 50.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.505 -0.316 . . . . 0.0 111.35 -176.533 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1932 ' ' THR . . . . . . . . . . . . . 75.5 m -71.59 -42.7 67.41 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.507 -0.315 . . . . 0.0 110.602 175.956 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1933 ' ' LYS . . . . . . . . . . . . . 33.9 mmtp -66.99 -36.55 82.42 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.653 -0.249 . . . . 0.0 110.771 179.084 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1934 ' ' ALA . . . . . . . . . . . . . . . -59.17 -51.15 71.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.554 175.732 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1935 ' ' GLY . . . . . . . . . . . . . . . -63.33 -37.08 94.29 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.832 -0.699 . . . . 0.0 112.166 178.005 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1936 ' ' ALA . . . . . . . . . . . . . . . -65.84 -47.3 75.43 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.507 0.194 . . . . 0.0 111.157 179.846 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1937 ' ' LEU . . . . . 0.499 ' HB2' HG22 ' A' 1946 ' ' THR . 29.8 tp -67.48 -32.15 72.78 Favored 'General case' 0 CA--C 1.514 -0.422 0 CA-C-O 121.278 0.561 . . . . 0.0 110.095 178.406 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1938 ' ' GLN . . . . . 0.471 ' HG3' ' O ' ' A' 1879 ' ' PRO . 28.6 tt0 -66.69 -31.09 71.53 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.746 179.813 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1939 ' ' CYS . . . . . . . . . . . . . 60.4 m -86.43 -22.13 26.7 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.813 177.147 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1940 ' ' SER . . . . . . . . . . . . . 67.3 m -138.98 79.7 26.23 Favored Pre-proline 0 C--N 1.326 -0.418 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.746 178.876 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1941 ' ' PRO . . . . . . . . . . . . . 43.4 Cg_endo -69.62 -14.52 36.66 Favored 'Trans proline' 0 C--N 1.343 0.268 0 C-N-CA 122.578 2.185 . . . . 0.0 112.302 -177.723 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1942 ' ' SER . . . . . . . . . . . . . 14.8 m -86.26 -10.2 55.03 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.056 -178.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1943 ' ' ASP . . . . . . . . . . . . . 12.9 t70 -84.63 110.31 18.64 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 179.162 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1944 ' ' VAL . . . . . 0.552 ' O ' ' HG2' ' A' 1948 ' ' LYS . 12.0 p -75.64 -32.71 25.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.244 -174.075 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1945 ' ' TYR . . . . . . . . . . . . . 69.4 m-85 -71.99 -36.4 69.76 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.666 0.269 . . . . 0.0 111.147 -174.86 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1946 ' ' THR . . . . . 0.499 HG22 ' HB2' ' A' 1937 ' ' LEU . 95.7 m -60.62 -39.29 87.68 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.136 0.493 . . . . 0.0 109.793 172.789 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1947 ' ' LYS . . . . . . . . . . . . . 31.7 ttpt -68.34 -42.55 79.12 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.381 -0.827 . . . . 0.0 110.525 179.272 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1948 ' ' LYS . . . . . 0.552 ' HG2' ' O ' ' A' 1944 ' ' VAL . 9.0 mmpt? -53.93 -54.28 41.05 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.732 -179.0 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1949 ' ' GLU . . . . . . . . . . . . . 35.9 mm-40 -65.27 -25.57 67.71 Favored 'General case' 0 C--O 1.221 -0.4 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.796 -179.007 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1950 ' ' LEU . . . . . 0.64 HD11 HD22 ' A' 1882 ' ' LEU . 7.1 tt -65.48 -50.81 63.92 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 177.022 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1951 ' ' ILE . . . . . 0.844 HG13 ' HB ' ' A' 1872 ' ' VAL . 1.8 mp -61.95 -48.86 86.6 Favored 'Isoleucine or valine' 0 C--O 1.236 0.345 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.088 177.095 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1952 ' ' GLU . . . . . 0.581 ' O ' ' HG3' ' A' 1956 ' ' ARG . 30.4 mm-40 -59.39 -45.98 89.94 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.48 -179.577 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1953 ' ' CYS . . . . . 0.438 ' HA ' ' HD2' ' A' 1956 ' ' ARG . 25.4 t -61.25 -39.61 91.0 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.479 0.181 . . . . 0.0 111.061 -177.343 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1954 ' ' ALA . . . . . 0.406 ' HB1' ' HB ' ' A' 1868 ' ' VAL . . . -64.87 -41.98 95.22 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.803 0.335 . . . . 0.0 111.193 -179.302 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1955 ' ' ARG . . . . . 0.53 ' HG3' ' O ' ' A' 1952 ' ' GLU . 0.0 OUTLIER -73.69 -23.38 59.8 Favored 'General case' 0 C--N 1.325 -0.471 0 C-N-CA 120.757 -0.377 . . . . 0.0 110.382 178.278 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A 1956 ' ' ARG . . . . . 0.581 ' HG3' ' O ' ' A' 1952 ' ' GLU . 84.0 mtt180 -70.3 -46.9 63.36 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.903 0.383 . . . . 0.0 110.382 174.49 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1957 ' ' VAL . . . . . 0.451 ' O ' HG13 ' A' 1961 ' ' VAL . 21.1 m -78.19 -25.98 14.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 N-CA-C 111.865 0.32 . . . . 0.0 111.865 -176.666 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1958 ' ' SER . . . . . 0.525 ' O ' HG22 ' A' 1961 ' ' VAL . 8.3 p -66.41 -28.41 68.6 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 120.996 -0.282 . . . . 0.0 110.82 179.708 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1959 ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -65.93 -38.55 88.95 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 171.16 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1960 ' ' LYS . . . . . 1.02 ' HD3' ' HB3' ' A' 1922 ' ' GLU . 66.4 mttm -70.36 -37.1 74.55 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.17 -176.168 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1961 ' ' VAL . . . . . 0.704 HG21 ' HB2' ' A' 1865 ' ' ALA . 2.7 m -66.1 -31.59 54.35 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.192 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 175.356 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1962 ' ' SER . . . . . 0.638 ' HA ' HD12 ' A' 1965 ' ' LEU . 49.3 m -71.32 -24.85 62.2 Favored 'General case' 0 N--CA 1.451 -0.408 0 CA-C-N 115.458 -0.792 . . . . 0.0 110.138 177.85 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1963 ' ' HIS . . . . . . . . . . . . . 33.2 m170 -77.69 -31.41 52.42 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.845 -0.616 . . . . 0.0 109.988 177.797 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1964 ' ' VAL . . . . . 0.538 HG11 HD11 ' A' 1896 ' ' LEU . 72.6 t -59.26 -50.1 81.05 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.205 0 N-CA-C 108.791 -0.818 . . . . 0.0 108.791 171.753 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1965 ' ' LEU . . . . . 0.638 HD12 ' HA ' ' A' 1962 ' ' SER . 37.2 mt -49.69 -47.38 50.34 Favored 'General case' 0 CA--C 1.532 0.261 0 CA-C-N 115.48 -0.782 . . . . 0.0 111.092 179.261 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1966 ' ' ALA . . . . . . . . . . . . . . . -64.75 -34.48 78.42 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.71 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1967 ' ' ALA . . . . . . . . . . . . . . . -64.68 -43.47 93.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.508 -0.314 . . . . 0.0 111.352 -178.805 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1968 ' ' LEU . . . . . 1.014 ' HB3' ' HG3' ' A' 1854 ' ' GLN . 2.7 mm? -65.54 -39.12 91.38 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-O 121.169 0.509 . . . . 0.0 110.568 178.677 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1969 ' ' GLN . . . . . . . . . . . . . 72.1 mt-30 . . . . . 0 C--N 1.324 -0.501 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.033 -176.914 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A 1850 ' ' PHE . . . . . 0.415 ' HE1' HD11 ' A' 1916 ' ' ILE . 86.3 t80 . . . . . 0 CA--C 1.529 0.141 0 N-CA-C 111.576 0.213 . . . . 0.0 111.576 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1851 ' ' VAL . . . . . . . . . . . . . 35.2 m -54.9 -36.54 38.12 Favored 'Isoleucine or valine' 0 C--O 1.235 0.304 0 N-CA-C 112.227 0.454 . . . . 0.0 112.227 -178.346 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1852 ' ' ASP . . . . . . . . . . . . . 36.1 t70 -79.54 -47.94 14.69 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.839 0.352 . . . . 0.0 110.547 -177.214 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1853 ' ' TYR . . . . . 0.586 ' O ' ' HG2' ' A' 1857 ' ' MET . 56.1 m-85 -61.68 -39.89 93.04 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.353 -179.599 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1854 ' ' GLN . . . . . 0.81 ' HG3' ' HB3' ' A' 1968 ' ' LEU . 26.9 tt0 -53.39 -51.6 62.02 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.558 174.419 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1855 ' ' THR . . . . . 0.647 ' O ' ' HG2' ' A' 1859 ' ' ARG . 40.4 m -68.31 -36.87 79.96 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.732 -0.667 . . . . 0.0 112.042 -174.642 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1856 ' ' THR . . . . . 0.476 HG22 ' HA ' ' A' 1853 ' ' TYR . 13.8 t -72.42 -45.45 59.59 Favored 'General case' 0 CA--C 1.538 0.495 0 N-CA-C 112.248 0.462 . . . . 0.0 112.248 -173.35 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1857 ' ' MET . . . . . 0.586 ' HG2' ' O ' ' A' 1853 ' ' TYR . 11.5 ptm -79.01 -21.47 46.92 Favored 'General case' 0 C--N 1.33 -0.254 0 O-C-N 122.068 -0.395 . . . . 0.0 112.031 -172.485 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1858 ' ' VAL . . . . . 0.482 HG13 ' O ' ' A' 1854 ' ' GLN . 26.4 m -69.51 -29.28 41.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 C-N-CA 119.864 -0.734 . . . . 0.0 109.61 174.105 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1859 ' ' ARG . . . . . 0.647 ' HG2' ' O ' ' A' 1855 ' ' THR . 15.9 mmt180 -71.32 -41.49 69.79 Favored 'General case' 0 C--O 1.233 0.188 0 N-CA-C 109.491 -0.559 . . . . 0.0 109.491 176.475 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1860 ' ' THR . . . . . . . . . . . . . 3.6 m -61.41 -42.73 99.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.458 -0.792 . . . . 0.0 110.798 179.787 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1861 ' ' ALA . . . . . 0.462 ' HB1' ' HB ' ' A' 1961 ' ' VAL . . . -57.78 -39.24 77.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.13 179.773 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1862 ' ' LYS . . . . . . . . . . . . . 51.1 mttm -66.83 -37.38 84.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.675 179.583 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1863 ' ' ALA . . . . . . . . . . . . . . . -72.44 -34.81 68.06 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.536 179.784 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1864 ' ' ILE . . . . . 0.597 ' O ' HG13 ' A' 1868 ' ' VAL . 68.6 mt -65.33 -46.31 90.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.105 174.355 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1865 ' ' ALA . . . . . 0.834 ' HB2' HG21 ' A' 1961 ' ' VAL . . . -57.7 -51.35 69.89 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.681 -179.017 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1866 ' ' VAL . . . . . 0.484 ' O ' ' HG3' ' A' 1870 ' ' GLU . 11.7 p -61.4 -31.24 49.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 C-N-CA 120.866 -0.334 . . . . 0.0 110.739 -179.751 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1867 ' ' THR . . . . . 0.67 ' O ' ' HG3' ' A' 1871 ' ' MET . 96.2 m -66.25 -52.33 48.71 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.625 -0.261 . . . . 0.0 110.875 177.62 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1868 ' ' VAL . . . . . 0.597 HG13 ' O ' ' A' 1864 ' ' ILE . 2.5 m -63.36 -30.67 50.36 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.331 0 CA-C-O 121.75 0.786 . . . . 0.0 110.069 -178.786 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1869 ' ' GLN . . . . . . . . . . . . . 44.9 tp60 -75.56 -28.33 58.96 Favored 'General case' 0 N--CA 1.429 -1.489 0 CA-C-N 114.788 -1.096 . . . . 0.0 110.231 -179.87 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1870 ' ' GLU . . . . . 0.484 ' HG3' ' O ' ' A' 1866 ' ' VAL . 48.3 mt-10 -72.29 -41.71 66.33 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 109.954 -0.387 . . . . 0.0 109.954 170.929 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1871 ' ' MET . . . . . 0.67 ' HG3' ' O ' ' A' 1867 ' ' THR . 46.1 mtp -57.7 -42.99 84.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.261 -176.769 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1872 ' ' VAL . . . . . 0.434 HG12 ' HA ' ' A' 1951 ' ' ILE . 27.0 m -73.13 -29.31 28.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.792 0.329 . . . . 0.0 111.624 178.911 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1873 ' ' THR . . . . . . . . . . . . . 95.7 m -76.71 -41.29 45.75 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.056 0.455 . . . . 0.0 110.914 179.866 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1874 ' ' LYS . . . . . 0.66 ' HD2' ' HG3' ' A' 1881 ' ' GLU . 70.4 mmtt -70.57 -43.41 69.5 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.108 -178.852 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1875 ' ' SER . . . . . 0.472 ' HB2' ' HG3' ' A' 1947 ' ' LYS . 12.4 p -57.12 -20.63 26.87 Favored 'General case' 0 N--CA 1.465 0.301 0 N-CA-C 113.107 0.781 . . . . 0.0 113.107 -171.878 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1876 ' ' ASN . . . . . . . . . . . . . 92.1 m-20 -61.0 -36.33 79.22 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.783 0.325 . . . . 0.0 111.274 179.148 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1877 ' ' THR . . . . . . . . . . . . . 37.0 p -129.05 -38.54 1.62 Allowed 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.063 0.459 . . . . 0.0 111.644 -177.611 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1878 ' ' SER . . . . . . . . . . . . . 50.2 m -112.8 104.68 55.97 Favored Pre-proline 0 C--N 1.322 -0.611 0 CA-C-N 115.837 -0.619 . . . . 0.0 111.764 -171.742 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1879 ' ' PRO . . . . . 1.025 ' HA ' HD12 ' A' 1882 ' ' LEU . 53.1 Cg_endo -90.03 -8.06 4.25 Favored 'Trans proline' 0 N--CA 1.442 -1.514 0 C-N-CA 121.971 1.781 . . . . 0.0 111.841 171.929 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1880 ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 -73.24 -32.37 64.68 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.6 177.353 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1881 ' ' GLU . . . . . 0.66 ' HG3' ' HD2' ' A' 1874 ' ' LYS . 9.6 mm-40 -70.46 -14.6 62.6 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.542 -178.7 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1882 ' ' LEU . . . . . 1.025 HD12 ' HA ' ' A' 1879 ' ' PRO . 1.7 mt -84.69 -4.33 58.97 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.468 -0.787 . . . . 0.0 112.722 -169.571 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1883 ' ' GLY . . . . . . . . . . . . . . . -76.06 -60.77 3.02 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.438 -0.886 . . . . 0.0 111.269 174.196 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1884 ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -55.5 -42.3 69.29 Favored 'Trans proline' 0 C--N 1.349 0.576 0 C-N-CA 122.751 2.3 . . . . 0.0 112.18 175.427 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1885 ' ' LEU . . . . . 0.523 ' HB3' ' HG2' ' A' 1871 ' ' MET . 43.1 mt -60.4 -40.22 90.18 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.813 -178.447 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1886 ' ' ALA . . . . . . . . . . . . . . . -65.74 -45.22 83.42 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.981 0.42 . . . . 0.0 110.67 179.767 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1887 ' ' ASN . . . . . . . . . . . . . 92.9 m-20 -65.56 -35.19 80.13 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.077 0.465 . . . . 0.0 110.304 177.205 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1888 ' ' GLN . . . . . . . . . . . . . 33.5 tp60 -64.85 -49.58 70.02 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.58 -0.737 . . . . 0.0 110.792 179.57 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1889 ' ' LEU . . . . . 0.475 HD12 ' SD ' ' A' 1871 ' ' MET . 0.8 OUTLIER -57.94 -45.25 86.88 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 109.546 -0.538 . . . . 0.0 109.546 177.441 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A 1890 ' ' THR . . . . . . . . . . . . . 87.7 m -59.67 -44.58 93.55 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.612 -0.722 . . . . 0.0 111.386 179.423 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1891 ' ' SER . . . . . . . . . . . . . 21.0 t -68.44 -45.87 71.36 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.844 -178.551 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1892 ' ' ASP . . . . . 0.512 ' HB3' HG12 ' A' 1864 ' ' ILE . 0.1 OUTLIER -65.95 -40.14 91.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.525 -0.307 . . . . 0.0 110.93 -177.79 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A 1893 ' ' TYR . . . . . . . . . . . . . 27.4 t80 -60.09 -43.9 95.18 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.626 0.251 . . . . 0.0 110.699 176.031 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1894 ' ' GLY . . . . . . . . . . . . . . . -58.01 -36.54 81.62 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.849 -0.691 . . . . 0.0 111.763 179.104 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1895 ' ' ARG . . . . . . . . . . . . . 41.6 ttm105 -69.18 -46.91 66.34 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.001 0.429 . . . . 0.0 110.141 176.897 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1896 ' ' LEU . . . . . 0.51 HD12 ' HB2' ' A' 1857 ' ' MET . 57.8 tp -57.76 -47.33 82.82 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.986 179.307 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1897 ' ' ALA . . . . . . . . . . . . . . . -64.69 -24.06 67.45 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.328 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1898 ' ' SER . . . . . . . . . . . . . 35.0 t -79.46 -21.16 45.81 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.585 0.707 . . . . 0.0 109.547 -177.29 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1899 ' ' GLN . . . . . 0.423 HE21 ' HB2' ' A' 1899 ' ' GLN . 10.6 mt-30 -95.36 -16.78 22.11 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.106 -0.952 . . . . 0.0 110.483 -177.887 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1900 ' ' ALA . . . . . . . . . . . . . . . -74.5 -31.21 62.1 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.767 -0.652 . . . . 0.0 110.643 176.665 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1901 ' ' LYS . . . . . 0.673 ' HB3' ' HD3' ' A' 1902 ' ' PRO . 24.1 tptm -59.24 -57.71 24.97 Favored Pre-proline 0 CA--C 1.54 0.571 0 CA-C-N 115.355 -0.838 . . . . 0.0 112.107 -177.581 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1902 ' ' PRO . . . . . 0.673 ' HD3' ' HB3' ' A' 1901 ' ' LYS . 4.9 Cg_exo -77.7 -20.21 12.2 Favored 'Trans proline' 0 C--N 1.353 0.806 0 C-N-CA 121.891 1.727 . . . . 0.0 112.362 -176.508 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1903 ' ' ALA . . . . . . . . . . . . . . . -72.08 -36.59 69.56 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.871 0.367 . . . . 0.0 110.623 179.803 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1904 ' ' ALA . . . . . . . . . . . . . . . -72.77 -32.69 65.81 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.739 -176.47 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1905 ' ' VAL . . . . . 0.436 HG22 ' HA ' ' A' 1902 ' ' PRO . 34.7 m -85.23 -26.92 6.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 115.923 -0.58 . . . . 0.0 111.244 -179.163 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1906 ' ' ALA . . . . . . . . . . . . . . . -74.3 -45.96 44.23 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.558 0.218 . . . . 0.0 110.79 179.094 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1907 ' ' ALA . . . . . . . . . . . . . . . -57.36 137.8 55.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.304 -179.294 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1908 ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -93.61 -12.4 29.55 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.158 0.504 . . . . 0.0 110.486 -179.353 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1909 ' ' ASN . . . . . . . . . . . . . 42.6 m-80 -86.02 130.98 34.37 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.352 177.837 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1910 ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -56.23 -50.87 70.04 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.845 178.719 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1911 ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -63.82 -39.8 95.08 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.48 -0.782 . . . . 0.0 111.966 -173.961 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1912 ' ' ILE . . . . . 0.543 ' O ' HG13 ' A' 1916 ' ' ILE . 53.8 mt -59.24 -53.68 44.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 C-N-CA 120.66 -0.416 . . . . 0.0 110.275 -179.861 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1913 ' ' GLY . . . . . . . . . . . . . . . -59.72 -32.36 73.97 Favored Glycine 0 C--N 1.33 0.239 0 C-N-CA 120.973 -0.632 . . . . 0.0 112.425 -179.885 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1914 ' ' ALA . . . . . . . . . . . . . . . -74.81 -46.26 37.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.656 0.265 . . . . 0.0 110.738 179.613 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1915 ' ' HIS . . . . . 0.659 ' O ' ' HG2' ' A' 1919 ' ' ARG . 67.8 m-70 -63.03 -45.16 93.59 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.332 -177.586 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1916 ' ' ILE . . . . . 0.543 HG13 ' O ' ' A' 1912 ' ' ILE . 98.9 mt -50.96 -56.37 4.82 Favored 'Isoleucine or valine' 0 C--O 1.234 0.245 0 CA-C-O 121.133 0.492 . . . . 0.0 111.375 -178.772 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1917 ' ' LYS . . . . . 0.474 ' HA ' HG22 ' A' 1920 ' ' VAL . 56.8 mtmt -73.8 -24.82 59.87 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.316 -177.336 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1918 ' ' HIS . . . . . 0.484 ' O ' ' HB3' ' A' 1921 ' ' GLN . 8.3 t-80 -69.37 -31.65 70.18 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.951 0.405 . . . . 0.0 110.227 178.895 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1919 ' ' ARG . . . . . 0.659 ' HG2' ' O ' ' A' 1915 ' ' HIS . 24.6 mmt180 -75.68 -49.16 19.16 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.675 -178.225 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1920 ' ' VAL . . . . . 0.474 HG22 ' HA ' ' A' 1917 ' ' LYS . 32.7 m -66.63 -24.21 32.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 121.094 0.474 . . . . 0.0 110.208 178.269 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1921 ' ' GLN . . . . . 0.484 ' HB3' ' O ' ' A' 1918 ' ' HIS . 40.1 tt0 -54.24 -53.73 49.63 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.894 175.638 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1922 ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -75.41 -32.62 60.81 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.196 -177.367 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1923 ' ' LEU . . . . . 0.401 ' HG ' ' HB3' ' A' 1960 ' ' LYS . 30.9 mt -61.84 -30.51 70.89 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.261 178.051 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1924 ' ' GLY . . . . . . . . . . . . . . . -62.25 -41.6 99.72 Favored Glycine 0 N--CA 1.449 -0.456 0 C-N-CA 120.789 -0.72 . . . . 0.0 111.975 177.382 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1925 ' ' HIS . . . . . . . . . . . . . 23.5 m170 -70.46 -44.44 67.77 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.737 -0.468 . . . . 0.0 109.737 178.771 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1926 ' ' GLY . . . . . 0.442 ' O ' ' HB2' ' A' 1930 ' ' LEU . . . -62.67 -38.86 97.13 Favored Glycine 0 N--CA 1.447 -0.603 0 CA-C-N 115.748 -0.66 . . . . 0.0 112.195 179.621 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1927 ' ' CYS . . . . . . . . . . . . . 53.6 t -63.64 -52.61 60.06 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.541 0.21 . . . . 0.0 110.447 177.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1928 ' ' SER . . . . . . . . . . . . . 62.5 p -63.08 -34.39 77.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.043 -176.875 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1929 ' ' ALA . . . . . . . . . . . . . . . -72.8 -48.75 35.37 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.466 -0.333 . . . . 0.0 111.043 178.788 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1930 ' ' LEU . . . . . 0.448 ' HG ' ' HB3' ' A' 1953 ' ' CYS . 0.4 OUTLIER -61.47 -46.11 91.41 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.122 -175.28 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A 1931 ' ' VAL . . . . . . . . . . . . . 23.4 m -64.55 -28.91 45.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.851 0.358 . . . . 0.0 111.063 -177.594 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1932 ' ' THR . . . . . . . . . . . . . 30.9 m -76.05 -41.0 52.09 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.281 177.194 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1933 ' ' LYS . . . . . . . . . . . . . 75.1 mmtt -64.62 -37.34 87.24 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.026 0.441 . . . . 0.0 110.152 176.629 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1934 ' ' ALA . . . . . . . . . . . . . . . -61.63 -50.54 72.16 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.506 176.473 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1935 ' ' GLY . . . . . . . . . . . . . . . -65.24 -33.45 86.85 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.881 -0.676 . . . . 0.0 112.319 178.584 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1936 ' ' ALA . . . . . . . . . . . . . . . -65.44 -48.25 73.37 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.758 0.313 . . . . 0.0 110.664 177.719 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1937 ' ' LEU . . . . . 0.42 ' HB2' HG22 ' A' 1946 ' ' THR . 24.4 tp -66.99 -31.98 72.92 Favored 'General case' 0 CA--C 1.513 -0.464 0 CA-C-O 121.148 0.499 . . . . 0.0 110.407 178.77 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1938 ' ' GLN . . . . . 0.53 ' HA ' ' HB2' ' A' 1879 ' ' PRO . 37.6 tt0 -68.37 -26.91 65.81 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.142 178.928 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1939 ' ' CYS . . . . . . . . . . . . . 42.2 t -82.97 -35.61 25.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.364 176.105 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1940 ' ' SER . . . . . . . . . . . . . 74.9 m -128.27 83.28 66.58 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.916 177.313 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1941 ' ' PRO . . . . . 0.659 ' HB3' ' HG3' ' A' 1879 ' ' PRO . 51.7 Cg_endo -70.56 -21.35 29.91 Favored 'Trans proline' 0 C--N 1.343 0.288 0 C-N-CA 122.522 2.148 . . . . 0.0 112.691 -175.918 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1942 ' ' SER . . . . . . . . . . . . . 32.2 m -85.04 -1.82 57.27 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.335 -177.021 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1943 ' ' ASP . . . . . . . . . . . . . 23.5 t70 -94.93 111.59 23.37 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.895 0.379 . . . . 0.0 110.263 179.428 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1944 ' ' VAL . . . . . . . . . . . . . 9.8 p -75.68 -28.61 19.71 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.716 -176.671 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1945 ' ' TYR . . . . . 0.454 ' O ' ' HG3' ' A' 1949 ' ' GLU . 66.5 m-85 -64.88 -43.2 93.69 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.735 -177.24 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1946 ' ' THR . . . . . 0.42 HG22 ' HB2' ' A' 1937 ' ' LEU . 85.5 m -59.06 -41.01 86.92 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.405 174.838 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1947 ' ' LYS . . . . . 0.472 ' HG3' ' HB2' ' A' 1875 ' ' SER . 11.7 ttpp -67.41 -37.93 83.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.163 179.477 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1948 ' ' LYS . . . . . 0.489 ' HE2' ' HA ' ' A' 1948 ' ' LYS . 7.6 mmpt? -58.2 -49.81 75.75 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.434 178.816 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1949 ' ' GLU . . . . . 0.454 ' HG3' ' O ' ' A' 1945 ' ' TYR . 37.5 mt-10 -65.5 -28.13 68.97 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.039 -178.022 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1950 ' ' LEU . . . . . 0.456 HD11 HD22 ' A' 1882 ' ' LEU . 7.7 tt -63.45 -47.48 81.65 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.007 -0.738 . . . . 0.0 109.007 174.723 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1951 ' ' ILE . . . . . 0.462 ' O ' ' HG2' ' A' 1955 ' ' ARG . 1.7 mp -63.41 -44.71 99.04 Favored 'Isoleucine or valine' 0 C--O 1.235 0.314 0 CA-C-N 115.615 -0.721 . . . . 0.0 110.289 176.384 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1952 ' ' GLU . . . . . 0.435 ' O ' ' HG3' ' A' 1956 ' ' ARG . 35.7 mm-40 -55.61 -39.81 71.26 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.264 178.49 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1953 ' ' CYS . . . . . 0.448 ' HB3' ' HG ' ' A' 1930 ' ' LEU . 11.7 t -74.53 -42.63 58.53 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 116.513 -0.312 . . . . 0.0 110.775 -177.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1954 ' ' ALA . . . . . . . . . . . . . . . -64.58 -41.49 96.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.516 -0.311 . . . . 0.0 111.677 -176.821 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1955 ' ' ARG . . . . . 0.462 ' HG2' ' O ' ' A' 1951 ' ' ILE . 9.9 ptp180 -66.96 -24.6 66.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.876 0.369 . . . . 0.0 110.629 179.113 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1956 ' ' ARG . . . . . 0.554 ' O ' ' HD3' ' A' 1960 ' ' LYS . 43.8 mtp180 -81.28 -30.03 34.14 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.667 179.708 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1957 ' ' VAL . . . . . 0.455 ' O ' HG13 ' A' 1961 ' ' VAL . 12.1 m -89.07 -30.95 5.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 C-N-CA 120.644 -0.422 . . . . 0.0 111.934 -178.187 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1958 ' ' SER . . . . . 0.612 ' O ' HG22 ' A' 1961 ' ' VAL . 23.4 p -63.78 -24.03 67.6 Favored 'General case' 0 CA--C 1.531 0.213 0 CA-C-O 120.931 0.396 . . . . 0.0 111.47 -175.781 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1959 ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -77.87 -33.79 51.95 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.784 0.326 . . . . 0.0 110.802 174.422 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1960 ' ' LYS . . . . . 0.554 ' HD3' ' O ' ' A' 1956 ' ' ARG . 12.1 mptt -66.54 -31.39 72.07 Favored 'General case' 0 CA--C 1.516 -0.328 0 CA-C-N 116.554 -0.294 . . . . 0.0 110.691 -178.879 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1961 ' ' VAL . . . . . 0.834 HG21 ' HB2' ' A' 1865 ' ' ALA . 2.2 m -64.97 -37.26 79.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 116.209 -0.451 . . . . 0.0 109.833 -179.89 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1962 ' ' SER . . . . . 0.683 ' HA ' HD12 ' A' 1965 ' ' LEU . 14.3 m -73.0 -24.98 60.82 Favored 'General case' 0 N--CA 1.441 -0.907 0 CA-C-O 121.305 0.574 . . . . 0.0 110.154 176.521 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1963 ' ' HIS . . . . . 0.453 ' HB3' ' CD ' ' A' 1919 ' ' ARG . 64.5 m170 -72.21 -30.37 64.86 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.655 -0.702 . . . . 0.0 109.785 176.618 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1964 ' ' VAL . . . . . 0.433 ' O ' HD23 ' A' 1968 ' ' LEU . 90.7 t -65.38 -44.93 94.45 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.203 0 N-CA-C 108.921 -0.77 . . . . 0.0 108.921 172.558 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1965 ' ' LEU . . . . . 0.683 HD12 ' HA ' ' A' 1962 ' ' SER . 54.1 mt -53.87 -46.51 71.35 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.007 -0.997 . . . . 0.0 110.735 178.671 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1966 ' ' ALA . . . . . . . . . . . . . . . -75.98 -31.23 58.88 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.88 -178.286 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1967 ' ' ALA . . . . . . . . . . . . . . . -63.99 -46.43 84.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.009 0.433 . . . . 0.0 111.184 -179.75 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1968 ' ' LEU . . . . . 0.81 ' HB3' ' HG3' ' A' 1854 ' ' GLN . 4.1 mm? -71.75 -29.75 64.85 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.972 -179.454 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1969 ' ' GLN . . . . . . . . . . . . . 47.4 mt-30 . . . . . 0 C--N 1.324 -0.525 0 CA-C-N 116.517 -0.31 . . . . 0.0 110.961 -179.085 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A 1850 ' ' PHE . . . . . 0.551 ' HZ ' HD11 ' A' 1916 ' ' ILE . 86.2 t80 . . . . . 0 N--CA 1.45 -0.459 0 CA-C-O 120.979 0.418 . . . . 0.0 110.109 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1851 ' ' VAL . . . . . . . . . . . . . 28.1 m -48.88 -37.0 8.56 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.291 0 CA-C-N 115.426 -0.806 . . . . 0.0 112.421 179.796 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1852 ' ' ASP . . . . . . . . . . . . . 20.6 t70 -66.72 -43.87 83.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.138 0.495 . . . . 0.0 111.244 -176.791 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1853 ' ' TYR . . . . . 0.45 ' CE1' ' HB2' ' A' 1902 ' ' PRO . 51.4 m-85 -81.29 -23.67 37.76 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.33 -177.295 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1854 ' ' GLN . . . . . 0.914 ' HG3' ' HB3' ' A' 1968 ' ' LEU . 43.3 tt0 -68.5 -55.91 10.14 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.503 -0.772 . . . . 0.0 110.604 176.488 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1855 ' ' THR . . . . . 0.589 ' O ' ' HG2' ' A' 1859 ' ' ARG . 14.7 m -59.26 -40.68 86.76 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.993 -0.549 . . . . 0.0 112.31 -174.412 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1856 ' ' THR . . . . . 0.457 HG23 ' N ' ' A' 1857 ' ' MET . 6.2 t -62.33 -53.42 55.27 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 112.559 0.578 . . . . 0.0 112.559 -173.467 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1857 ' ' MET . . . . . 0.69 ' SD ' HD21 ' A' 1968 ' ' LEU . 7.2 ptp -77.85 -24.19 48.67 Favored 'General case' 0 C--N 1.327 -0.4 0 C-N-CA 120.415 -0.514 . . . . 0.0 111.972 -172.58 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1858 ' ' VAL . . . . . 0.413 ' O ' ' HG3' ' A' 1862 ' ' LYS . 23.3 m -69.87 -32.07 50.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 C-N-CA 119.546 -0.862 . . . . 0.0 109.251 174.736 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1859 ' ' ARG . . . . . 0.589 ' HG2' ' O ' ' A' 1855 ' ' THR . 30.5 mmt180 -70.23 -37.65 75.04 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-O 121.124 0.488 . . . . 0.0 109.691 174.322 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1860 ' ' THR . . . . . 0.495 ' HA ' HH21 ' A' 1895 ' ' ARG . 99.0 m -65.64 -44.26 86.96 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.504 -0.771 . . . . 0.0 111.069 176.781 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1861 ' ' ALA . . . . . 0.4 ' HB1' ' HB ' ' A' 1961 ' ' VAL . . . -59.5 -40.01 85.66 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.842 0.353 . . . . 0.0 110.929 179.297 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1862 ' ' LYS . . . . . 0.413 ' HG3' ' O ' ' A' 1858 ' ' VAL . 52.1 mttm -64.03 -41.03 97.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.428 177.133 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1863 ' ' ALA . . . . . . . . . . . . . . . -67.16 -36.46 81.86 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.773 178.88 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1864 ' ' ILE . . . . . 0.635 ' O ' HG13 ' A' 1868 ' ' VAL . 76.1 mt -65.17 -47.52 87.24 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-N 116.368 -0.378 . . . . 0.0 109.994 174.777 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1865 ' ' ALA . . . . . 0.833 ' HB2' HG21 ' A' 1961 ' ' VAL . . . -56.72 -42.13 78.65 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.019 -0.537 . . . . 0.0 112.119 -177.709 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1866 ' ' VAL . . . . . . . . . . . . . 12.6 p -71.96 -32.44 44.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 C-N-CA 120.565 -0.454 . . . . 0.0 110.587 179.717 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1867 ' ' THR . . . . . 0.401 ' O ' ' HG3' ' A' 1871 ' ' MET . 92.1 m -68.96 -46.69 67.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.558 -0.292 . . . . 0.0 111.133 179.585 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1868 ' ' VAL . . . . . 0.635 HG13 ' O ' ' A' 1864 ' ' ILE . 3.2 m -62.62 -30.26 48.85 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.311 0 CA-C-O 121.767 0.794 . . . . 0.0 109.646 178.733 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1869 ' ' GLN . . . . . . . . . . . . . 64.0 tp60 -78.32 -35.66 47.41 Favored 'General case' 0 N--CA 1.421 -1.912 0 CA-C-N 114.856 -1.066 . . . . 0.0 110.356 -177.884 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1870 ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -65.03 -36.04 83.12 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.97 -0.382 . . . . 0.0 109.97 173.165 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1871 ' ' MET . . . . . 0.404 ' SD ' HD12 ' A' 1889 ' ' LEU . 8.1 mtt -56.65 -51.25 69.44 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.03 177.697 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1872 ' ' VAL . . . . . 0.618 HG12 ' HA ' ' A' 1951 ' ' ILE . 33.2 m -72.36 -28.48 28.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 120.893 0.378 . . . . 0.0 111.532 -178.755 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1873 ' ' THR . . . . . . . . . . . . . 92.6 m -72.59 -47.13 50.49 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 120.995 0.426 . . . . 0.0 110.855 177.863 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1874 ' ' LYS . . . . . . . . . . . . . 71.5 mmtt -71.09 -37.27 72.42 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.75 -176.676 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1875 ' ' SER . . . . . 0.628 ' HB3' HD11 ' A' 1882 ' ' LEU . 12.0 p -57.32 -14.56 4.68 Favored 'General case' 0 N--CA 1.468 0.428 0 N-CA-C 112.594 0.59 . . . . 0.0 112.594 -175.123 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1876 ' ' ASN . . . . . . . . . . . . . 90.8 m-20 -61.76 -43.36 99.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.51 -0.313 . . . . 0.0 111.048 176.704 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1877 ' ' THR . . . . . . . . . . . . . 74.1 p -131.35 -5.13 3.8 Favored 'General case' 0 CA--C 1.532 0.28 0 N-CA-C 112.045 0.387 . . . . 0.0 112.045 -177.601 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1878 ' ' SER . . . . . . . . . . . . . 68.7 m -138.26 109.2 8.17 Favored Pre-proline 0 C--N 1.325 -0.488 0 N-CA-C 111.99 0.367 . . . . 0.0 111.99 -173.808 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1879 ' ' PRO . . . . . 0.98 ' HA ' HD12 ' A' 1882 ' ' LEU . 25.9 Cg_endo -95.86 -3.65 1.94 Allowed 'Trans proline' 0 N--CA 1.442 -1.555 0 C-N-CA 121.827 1.685 . . . . 0.0 111.399 168.038 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1880 ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -71.59 -50.85 27.06 Favored 'General case' 0 C--N 1.334 -0.07 0 CA-C-N 115.52 -0.764 . . . . 0.0 110.341 179.115 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1881 ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 -63.1 -14.63 50.69 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 115.315 -0.857 . . . . 0.0 111.051 -176.662 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1882 ' ' LEU . . . . . 0.98 HD12 ' HA ' ' A' 1879 ' ' PRO . 6.7 mt -75.26 -12.21 60.23 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.588 -0.733 . . . . 0.0 112.131 -175.378 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1883 ' ' GLY . . . . . . . . . . . . . . . -75.38 -61.33 3.01 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.353 -0.927 . . . . 0.0 111.702 175.173 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1884 ' ' PRO . . . . . . . . . . . . . 9.2 Cg_endo -55.48 -41.19 80.49 Favored 'Trans proline' 0 C--N 1.346 0.444 0 C-N-CA 122.975 2.45 . . . . 0.0 112.495 174.71 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1885 ' ' LEU . . . . . . . . . . . . . 66.3 mt -60.15 -36.88 78.54 Favored 'General case' 0 N--CA 1.464 0.225 0 CA-C-O 120.519 0.199 . . . . 0.0 111.206 179.752 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1886 ' ' ALA . . . . . 0.448 ' HB1' ' HB ' ' A' 1931 ' ' VAL . . . -64.36 -49.47 71.51 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.996 0.427 . . . . 0.0 110.29 178.004 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1887 ' ' ASN . . . . . . . . . . . . . 46.4 t30 -61.66 -39.71 92.34 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.259 178.099 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1888 ' ' GLN . . . . . . . . . . . . . 34.8 tp60 -61.12 -50.55 72.79 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.423 -0.808 . . . . 0.0 111.135 179.267 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1889 ' ' LEU . . . . . 0.569 HD11 HG12 ' A' 1868 ' ' VAL . 1.6 tt -57.98 -44.06 86.9 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.344 0.592 . . . . 0.0 109.493 178.105 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1890 ' ' THR . . . . . . . . . . . . . 60.7 m -61.03 -47.85 84.51 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.344 -0.843 . . . . 0.0 111.432 -179.159 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1891 ' ' SER . . . . . . . . . . . . . 20.5 t -64.5 -36.12 83.18 Favored 'General case' 0 C--O 1.236 0.388 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.961 -177.748 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1892 ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -72.78 -39.1 67.03 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.923 178.944 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1893 ' ' TYR . . . . . . . . . . . . . 45.7 t80 -60.24 -39.13 85.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.634 0.254 . . . . 0.0 110.596 175.818 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1894 ' ' GLY . . . . . . . . . . . . . . . -60.86 -32.12 78.4 Favored Glycine 0 CA--C 1.517 0.205 0 C-N-CA 120.854 -0.688 . . . . 0.0 112.006 176.951 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1895 ' ' ARG . . . . . 0.495 HH21 ' HA ' ' A' 1860 ' ' THR . 41.1 ttp-105 -78.36 -26.58 46.69 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.304 0.574 . . . . 0.0 110.167 178.106 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1896 ' ' LEU . . . . . 0.477 HD12 ' HB2' ' A' 1857 ' ' MET . 52.8 tp -73.17 -54.92 7.25 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.465 -0.789 . . . . 0.0 110.957 179.118 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1897 ' ' ALA . . . . . . . . . . . . . . . -65.73 -24.98 67.09 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.916 -0.584 . . . . 0.0 112.065 -174.767 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1898 ' ' SER . . . . . . . . . . . . . 8.8 p -80.42 -19.67 45.65 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.921 0.391 . . . . 0.0 110.849 -174.663 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1899 ' ' GLN . . . . . . . . . . . . . 79.9 mm-40 -89.86 -11.23 42.55 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.611 177.184 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1900 ' ' ALA . . . . . . . . . . . . . . . -71.51 -31.86 67.55 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.653 179.469 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1901 ' ' LYS . . . . . 0.472 ' HB3' ' HD3' ' A' 1902 ' ' PRO . 9.2 tmtm? -66.96 -56.46 13.65 Favored Pre-proline 0 CA--C 1.541 0.607 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.189 -178.966 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1902 ' ' PRO . . . . . 0.472 ' HD3' ' HB3' ' A' 1901 ' ' LYS . 53.0 Cg_endo -70.13 -18.79 35.06 Favored 'Trans proline' 0 C--N 1.354 0.82 0 C-N-CA 121.965 1.776 . . . . 0.0 112.688 179.399 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1903 ' ' ALA . . . . . . . . . . . . . . . -75.94 -35.38 59.73 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.914 0.388 . . . . 0.0 110.721 177.522 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1904 ' ' ALA . . . . . . . . . . . . . . . -70.41 -30.98 67.99 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.087 0.47 . . . . 0.0 110.558 -177.096 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1905 ' ' VAL . . . . . 0.43 HG22 ' HA ' ' A' 1902 ' ' PRO . 33.9 m -89.29 -7.63 10.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.601 -177.589 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1906 ' ' ALA . . . . . . . . . . . . . . . -113.03 12.02 19.13 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.058 0.456 . . . . 0.0 110.386 178.91 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1907 ' ' ALA . . . . . . . . . . . . . . . -84.94 125.51 32.73 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.882 -178.619 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1908 ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -69.77 -35.5 74.96 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.5 179.414 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1909 ' ' ASN . . . . . 0.763 ' HB2' HG13 ' A' 1912 ' ' ILE . 2.3 m-20 -103.33 153.64 20.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.114 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1910 ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -62.09 -53.14 59.65 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.868 177.894 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1911 ' ' GLU . . . . . 0.476 ' HB3' ' CD2' ' A' 1915 ' ' HIS . 32.8 mt-10 -59.76 -36.19 76.13 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.444 -0.798 . . . . 0.0 111.969 -175.262 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1912 ' ' ILE . . . . . 0.763 HG13 ' HB2' ' A' 1909 ' ' ASN . 57.1 mt -55.98 -52.87 44.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 N-CA-C 110.307 -0.257 . . . . 0.0 110.307 -179.126 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1913 ' ' GLY . . . . . 0.423 ' O ' ' HD3' ' A' 1917 ' ' LYS . . . -67.81 -25.14 74.23 Favored Glycine 0 N--CA 1.449 -0.5 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.418 -178.774 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1914 ' ' ALA . . . . . . . . . . . . . . . -81.23 -50.94 8.96 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 122.769 -0.253 . . . . 0.0 111.306 -178.54 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1915 ' ' HIS . . . . . 0.62 ' O ' ' HG2' ' A' 1919 ' ' ARG . 72.5 m-70 -55.48 -44.19 76.26 Favored 'General case' 0 CA--C 1.519 -0.229 0 CA-C-N 116.515 -0.311 . . . . 0.0 111.433 -175.057 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1916 ' ' ILE . . . . . 0.551 HD11 ' HZ ' ' A' 1850 ' ' PHE . 81.8 mt -49.25 -54.58 5.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 121.372 0.606 . . . . 0.0 110.983 178.782 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1917 ' ' LYS . . . . . 0.446 ' HA ' HG22 ' A' 1920 ' ' VAL . 19.9 mtpp -68.95 -32.28 71.76 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.25 -0.886 . . . . 0.0 111.258 -175.5 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1918 ' ' HIS . . . . . . . . . . . . . 37.3 m80 -67.91 -35.16 77.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.987 0.422 . . . . 0.0 111.097 178.326 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1919 ' ' ARG . . . . . 0.803 ' HD3' ' HB3' ' A' 1963 ' ' HIS . 1.7 mmp_? -81.59 -40.76 22.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.636 -175.864 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1920 ' ' VAL . . . . . 0.446 HG22 ' HA ' ' A' 1917 ' ' LYS . 33.1 m -66.57 -26.79 38.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 C-N-CA 120.822 -0.351 . . . . 0.0 110.744 179.134 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1921 ' ' GLN . . . . . . . . . . . . . 26.3 tt0 -67.04 -44.07 81.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.058 0.456 . . . . 0.0 110.298 176.686 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1922 ' ' GLU . . . . . . . . . . . . . 24.7 tt0 -71.13 -35.44 71.73 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-N 115.944 -0.571 . . . . 0.0 109.634 -179.098 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1923 ' ' LEU . . . . . . . . . . . . . 11.5 mt -64.24 -44.91 90.35 Favored 'General case' 0 C--O 1.224 -0.272 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.715 174.286 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1924 ' ' GLY . . . . . . . . . . . . . . . -54.78 -44.34 80.77 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 121.29 -0.481 . . . . 0.0 112.87 -179.01 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1925 ' ' HIS . . . . . . . . . . . . . 27.5 m80 -63.89 -45.08 90.98 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.707 0.289 . . . . 0.0 110.608 178.043 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1926 ' ' GLY . . . . . 0.401 ' O ' ' HB2' ' A' 1930 ' ' LEU . . . -65.97 -42.6 94.69 Favored Glycine 0 N--CA 1.449 -0.454 0 C-N-CA 120.897 -0.668 . . . . 0.0 112.506 179.905 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1927 ' ' CYS . . . . . . . . . . . . . 72.8 m -62.9 -46.09 89.46 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.682 0.277 . . . . 0.0 110.706 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1928 ' ' SER . . . . . . . . . . . . . 18.2 m -65.49 -39.69 92.21 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.746 -178.376 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1929 ' ' ALA . . . . . . . . . . . . . . . -66.75 -40.62 88.35 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.882 0.372 . . . . 0.0 110.482 176.506 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1930 ' ' LEU . . . . . 0.401 ' HB2' ' O ' ' A' 1926 ' ' GLY . 0.4 OUTLIER -61.64 -51.4 68.62 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.698 -179.11 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A 1931 ' ' VAL . . . . . 0.448 ' HB ' ' HB1' ' A' 1886 ' ' ALA . 20.8 m -63.59 -27.58 43.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-O 120.702 0.287 . . . . 0.0 110.944 -178.07 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1932 ' ' THR . . . . . . . . . . . . . 57.6 m -69.87 -48.67 57.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.896 0.379 . . . . 0.0 110.114 175.899 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1933 ' ' LYS . . . . . . . . . . . . . 74.9 mmtt -66.69 -33.54 75.88 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.722 179.641 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1934 ' ' ALA . . . . . 0.528 ' HA ' HD12 ' A' 1950 ' ' LEU . . . -61.44 -48.68 80.03 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.585 176.89 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1935 ' ' GLY . . . . . . . . . . . . . . . -67.66 -31.58 76.49 Favored Glycine 0 N--CA 1.449 -0.47 0 C-N-CA 120.876 -0.678 . . . . 0.0 112.04 178.206 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1936 ' ' ALA . . . . . . . . . . . . . . . -68.36 -48.1 65.67 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.476 0.179 . . . . 0.0 110.765 177.66 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1937 ' ' LEU . . . . . 0.432 HD23 HD13 ' A' 1882 ' ' LEU . 24.3 tp -65.72 -33.99 77.16 Favored 'General case' 0 CA--C 1.515 -0.389 0 CA-C-O 121.214 0.531 . . . . 0.0 110.47 178.57 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1938 ' ' GLN . . . . . 0.569 ' HA ' ' HB2' ' A' 1879 ' ' PRO . 10.4 tt0 -58.88 -38.35 78.62 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.226 178.689 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1939 ' ' CYS . . . . . . . . . . . . . 48.3 t -83.07 -34.13 26.24 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.626 -0.715 . . . . 0.0 110.402 178.824 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1940 ' ' SER . . . . . . . . . . . . . 18.8 m -122.78 86.54 49.99 Favored Pre-proline 0 C--N 1.327 -0.397 0 CA-C-N 116.431 -0.349 . . . . 0.0 111.14 -178.649 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1941 ' ' PRO . . . . . . . . . . . . . 84.1 Cg_endo -83.8 -9.07 10.04 Favored 'Trans proline' 0 N--CA 1.463 -0.296 0 C-N-CA 122.704 2.269 . . . . 0.0 113.222 -176.441 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1942 ' ' SER . . . . . . . . . . . . . 36.6 m -94.87 -13.01 25.88 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.952 0.406 . . . . 0.0 110.548 -179.327 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1943 ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -79.9 99.33 7.52 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.019 -0.537 . . . . 0.0 109.936 175.809 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1944 ' ' VAL . . . . . 0.552 ' O ' ' HG2' ' A' 1948 ' ' LYS . 14.0 p -66.43 -33.1 61.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.344 -175.531 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1945 ' ' TYR . . . . . . . . . . . . . 90.3 m-85 -73.8 -31.0 63.04 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.543 0.211 . . . . 0.0 110.511 -178.687 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1946 ' ' THR . . . . . . . . . . . . . 79.7 m -61.84 -38.46 88.31 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.3 0.571 . . . . 0.0 109.504 173.193 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1947 ' ' LYS . . . . . . . . . . . . . 31.8 ttpt -69.85 -41.82 74.36 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.507 -0.77 . . . . 0.0 110.259 176.952 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1948 ' ' LYS . . . . . 0.577 ' HE2' ' HA ' ' A' 1948 ' ' LYS . 9.8 mmpt? -57.04 -46.01 82.73 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.657 -179.487 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1949 ' ' GLU . . . . . . . . . . . . . 19.4 mm-40 -55.51 -40.99 72.46 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.846 178.419 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1950 ' ' LEU . . . . . 0.702 HD11 HD22 ' A' 1882 ' ' LEU . 7.6 tt -63.39 -51.63 65.03 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.191 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1951 ' ' ILE . . . . . 0.618 ' HA ' HG12 ' A' 1872 ' ' VAL . 1.7 mp -61.91 -46.09 97.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.702 -178.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1952 ' ' GLU . . . . . . . . . . . . . 40.6 mm-40 -59.65 -40.44 87.72 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.322 178.96 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1953 ' ' CYS . . . . . 0.525 ' O ' HG13 ' A' 1957 ' ' VAL . 7.3 t -69.13 -44.77 71.7 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 116.56 -0.291 . . . . 0.0 110.599 -178.297 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1954 ' ' ALA . . . . . . . . . . . . . . . -64.36 -42.87 95.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.775 0.321 . . . . 0.0 111.69 -177.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1955 ' ' ARG . . . . . 0.45 HH11 ' HD3' ' A' 1955 ' ' ARG . 4.0 ptm180 -65.96 -35.54 80.88 Favored 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 121.056 -0.257 . . . . 0.0 111.059 -178.566 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1956 ' ' ARG . . . . . . . . . . . . . 18.7 ptp180 -80.9 -22.88 39.37 Favored 'General case' 0 C--O 1.225 -0.213 0 C-N-CA 120.714 -0.394 . . . . 0.0 111.443 -176.098 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1957 ' ' VAL . . . . . 0.525 HG13 ' O ' ' A' 1953 ' ' CYS . 12.9 m -85.42 -22.46 7.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 C-N-CA 120.372 -0.531 . . . . 0.0 110.69 174.814 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1958 ' ' SER . . . . . 0.682 ' O ' HG22 ' A' 1961 ' ' VAL . 29.6 t -62.16 -28.62 69.78 Favored 'General case' 0 CA--C 1.531 0.214 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.864 -178.675 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1959 ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -81.45 -26.36 35.37 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.893 0.378 . . . . 0.0 111.197 176.093 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1960 ' ' LYS . . . . . 0.49 ' HA ' ' ND1' ' A' 1963 ' ' HIS . 40.8 mttm -71.6 -27.69 63.29 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.554 -0.294 . . . . 0.0 110.584 -179.098 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1961 ' ' VAL . . . . . 0.833 HG21 ' HB2' ' A' 1865 ' ' ALA . 3.4 m -64.2 -33.79 64.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 N-CA-C 109.538 -0.542 . . . . 0.0 109.538 175.616 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1962 ' ' SER . . . . . 0.549 ' HA ' HD12 ' A' 1965 ' ' LEU . 32.8 t -75.74 -25.01 56.17 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-N 115.634 -0.712 . . . . 0.0 109.82 178.935 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1963 ' ' HIS . . . . . 0.803 ' HB3' ' HD3' ' A' 1919 ' ' ARG . 49.0 m170 -69.99 -29.48 66.58 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.05 178.263 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1964 ' ' VAL . . . . . 0.649 ' O ' HD23 ' A' 1968 ' ' LEU . 61.7 t -71.85 -45.22 66.07 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.183 0 N-CA-C 109.082 -0.71 . . . . 0.0 109.082 172.542 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1965 ' ' LEU . . . . . 0.549 HD12 ' HA ' ' A' 1962 ' ' SER . 82.0 mt -51.77 -45.93 63.94 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.848 -0.614 . . . . 0.0 111.299 179.871 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1966 ' ' ALA . . . . . . . . . . . . . . . -75.7 -28.15 58.5 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 112.033 0.383 . . . . 0.0 112.033 -177.616 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1967 ' ' ALA . . . . . . . . . . . . . . . -71.34 -36.87 71.69 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.828 0.347 . . . . 0.0 111.269 -178.327 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1968 ' ' LEU . . . . . 0.914 ' HB3' ' HG3' ' A' 1854 ' ' GLN . 3.9 mm? -79.86 -33.71 39.9 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.898 -177.595 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1969 ' ' GLN . . . . . . . . . . . . . 48.0 mt-30 . . . . . 0 C--N 1.325 -0.468 0 CA-C-O 121.697 0.761 . . . . 0.0 109.65 -179.726 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A 1850 ' ' PHE . . . . . . . . . . . . . 83.8 t80 . . . . . 0 CA--C 1.53 0.201 0 CA-C-O 120.796 0.331 . . . . 0.0 111.19 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A 1851 ' ' VAL . . . . . . . . . . . . . 7.2 m -62.73 -28.69 45.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-O 121.007 0.432 . . . . 0.0 111.179 -178.545 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1852 ' ' ASP . . . . . . . . . . . . . 18.5 t70 -80.48 -47.4 14.35 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.175 177.89 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1853 ' ' TYR . . . . . 0.562 ' HB3' ' HB2' ' A' 1903 ' ' ALA . 30.1 m-85 -61.12 -37.16 81.82 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.521 -0.763 . . . . 0.0 111.144 -178.609 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1854 ' ' GLN . . . . . 0.674 ' HG3' ' HB3' ' A' 1968 ' ' LEU . 32.3 tt0 -57.14 -59.99 4.26 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.78 176.761 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1855 ' ' THR . . . . . 0.445 ' O ' ' HG2' ' A' 1859 ' ' ARG . 85.2 m -67.28 -34.23 76.96 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.999 -0.546 . . . . 0.0 112.192 -174.891 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1856 ' ' THR . . . . . 0.479 HG22 ' O ' ' A' 1853 ' ' TYR . 5.0 t -64.98 -46.05 83.08 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 112.015 0.376 . . . . 0.0 112.015 -172.409 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1857 ' ' MET . . . . . 0.659 ' SD ' HD21 ' A' 1968 ' ' LEU . 4.9 ptp -81.99 -30.63 31.51 Favored 'General case' 0 C--N 1.331 -0.21 0 O-C-N 122.009 -0.432 . . . . 0.0 112.092 -175.876 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1858 ' ' VAL . . . . . 0.42 HG13 ' O ' ' A' 1854 ' ' GLN . 28.9 m -64.02 -29.79 48.27 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.105 0 C-N-CA 120.051 -0.66 . . . . 0.0 109.567 177.598 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1859 ' ' ARG . . . . . 0.445 ' HG2' ' O ' ' A' 1855 ' ' THR . 11.7 mmt85 -64.14 -45.37 88.8 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.391 173.352 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1860 ' ' THR . . . . . . . . . . . . . 3.9 m -67.65 -39.17 84.6 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.682 -179.594 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1861 ' ' ALA . . . . . 0.509 ' HB1' ' HB ' ' A' 1961 ' ' VAL . . . -58.66 -42.41 88.34 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.364 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1862 ' ' LYS . . . . . . . . . . . . . 39.6 mttm -63.6 -39.37 94.19 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.688 178.848 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1863 ' ' ALA . . . . . . . . . . . . . . . -66.29 -35.84 81.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.812 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1864 ' ' ILE . . . . . 0.605 ' O ' HG13 ' A' 1868 ' ' VAL . 73.8 mt -66.88 -45.68 86.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.069 175.439 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1865 ' ' ALA . . . . . 0.813 ' HB2' HG21 ' A' 1961 ' ' VAL . . . -58.2 -43.91 87.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.007 -0.542 . . . . 0.0 112.037 -177.94 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1866 ' ' VAL . . . . . . . . . . . . . 13.9 p -68.83 -33.42 59.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 C-N-CA 120.636 -0.426 . . . . 0.0 110.433 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1867 ' ' THR . . . . . 0.618 ' O ' ' HG3' ' A' 1871 ' ' MET . 96.7 m -62.76 -51.75 65.89 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.508 -0.314 . . . . 0.0 110.681 177.843 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1868 ' ' VAL . . . . . 0.605 HG13 ' O ' ' A' 1864 ' ' ILE . 2.5 m -62.41 -31.09 50.63 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.222 0 CA-C-O 121.508 0.671 . . . . 0.0 110.161 -178.817 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1869 ' ' GLN . . . . . . . . . . . . . 63.8 tp60 -74.14 -28.54 61.38 Favored 'General case' 0 N--CA 1.426 -1.67 0 CA-C-N 114.979 -1.009 . . . . 0.0 110.282 -178.451 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1870 ' ' GLU . . . . . 0.475 ' O ' ' HG2' ' A' 1874 ' ' LYS . 34.1 mt-10 -73.65 -47.44 39.94 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.078 172.029 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1871 ' ' MET . . . . . 0.618 ' HG3' ' O ' ' A' 1867 ' ' THR . 67.1 mtp -54.37 -46.51 73.03 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.568 -0.742 . . . . 0.0 111.315 -176.248 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1872 ' ' VAL . . . . . 0.511 ' HB ' HG13 ' A' 1951 ' ' ILE . 30.0 m -67.73 -32.81 58.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-O 120.831 0.348 . . . . 0.0 111.469 179.455 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1873 ' ' THR . . . . . . . . . . . . . 97.1 m -68.94 -39.12 79.75 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.324 0.583 . . . . 0.0 110.33 177.575 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1874 ' ' LYS . . . . . 0.475 ' HG2' ' O ' ' A' 1870 ' ' GLU . 67.6 mmtt -70.94 -38.48 72.87 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.54 -0.754 . . . . 0.0 111.307 -178.388 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1875 ' ' SER . . . . . . . . . . . . . 96.3 p -56.63 -20.79 22.99 Favored 'General case' 0 N--CA 1.465 0.295 0 N-CA-C 112.841 0.682 . . . . 0.0 112.841 -172.256 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1876 ' ' ASN . . . . . . . . . . . . . 88.6 m-20 -75.27 -19.71 59.55 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 111.769 0.285 . . . . 0.0 111.769 -177.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1877 ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -140.53 -37.55 0.45 Allowed 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 112.747 0.647 . . . . 0.0 112.747 -174.951 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1878 ' ' SER . . . . . . . . . . . . . 20.8 m -123.37 98.34 41.37 Favored Pre-proline 0 C--N 1.32 -0.697 0 CA-C-N 116.546 -0.297 . . . . 0.0 111.224 -174.805 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1879 ' ' PRO . . . . . 0.97 ' HA ' HD12 ' A' 1882 ' ' LEU . 53.7 Cg_endo -89.75 -14.56 2.39 Favored 'Trans proline' 0 N--CA 1.446 -1.316 0 C-N-CA 121.708 1.605 . . . . 0.0 112.933 178.509 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1880 ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -78.75 -42.25 28.57 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 112.042 0.386 . . . . 0.0 112.042 -175.949 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1881 ' ' GLU . . . . . 0.442 ' CD ' ' HD2' ' A' 1874 ' ' LYS . 15.3 pt-20 -72.14 -11.57 60.8 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.418 0.628 . . . . 0.0 110.331 -179.056 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1882 ' ' LEU . . . . . 0.97 HD12 ' HA ' ' A' 1879 ' ' PRO . 0.6 OUTLIER -63.32 -20.57 65.61 Favored 'General case' 0 N--CA 1.449 -0.489 0 CA-C-N 115.377 -0.829 . . . . 0.0 111.826 176.488 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A 1883 ' ' GLY . . . . . . . . . . . . . . . -62.64 -60.87 7.13 Favored Glycine 0 CA--C 1.518 0.258 0 C-N-CA 120.561 -0.828 . . . . 0.0 111.798 176.469 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1884 ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -51.3 -40.31 61.59 Favored 'Trans proline' 0 C--N 1.346 0.425 0 C-N-CA 122.722 2.281 . . . . 0.0 112.412 172.702 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1885 ' ' LEU . . . . . 0.544 ' HB3' ' HG2' ' A' 1871 ' ' MET . 57.1 mt -63.53 -39.61 94.87 Favored 'General case' 0 C--O 1.231 0.117 0 CA-C-N 116.506 -0.316 . . . . 0.0 111.164 179.315 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1886 ' ' ALA . . . . . . . . . . . . . . . -63.74 -44.37 93.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.969 0.414 . . . . 0.0 110.38 177.101 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1887 ' ' ASN . . . . . . . . . . . . . 88.0 m-20 -62.03 -38.88 90.36 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.938 -0.574 . . . . 0.0 109.886 176.683 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1888 ' ' GLN . . . . . . . . . . . . . 31.3 tp60 -61.59 -46.49 89.63 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.581 -0.736 . . . . 0.0 111.125 179.695 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1889 ' ' LEU . . . . . 0.482 HD12 ' SD ' ' A' 1871 ' ' MET . 1.4 tt -60.05 -46.96 87.81 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 109.179 -0.675 . . . . 0.0 109.179 176.633 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1890 ' ' THR . . . . . . . . . . . . . 45.6 m -57.57 -40.59 79.29 Favored 'General case' 0 C--O 1.237 0.443 0 CA-C-N 115.144 -0.935 . . . . 0.0 111.465 -179.757 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1891 ' ' SER . . . . . . . . . . . . . 48.1 m -66.71 -53.01 38.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.365 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1892 ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -63.72 -37.99 89.42 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 111.81 0.3 . . . . 0.0 111.81 -176.373 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1893 ' ' TYR . . . . . . . . . . . . . 51.8 t80 -58.2 -34.99 70.97 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-O 120.697 0.285 . . . . 0.0 110.797 177.522 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1894 ' ' GLY . . . . . . . . . . . . . . . -58.19 -42.36 95.26 Favored Glycine 0 N--CA 1.449 -0.461 0 C-N-CA 120.967 -0.635 . . . . 0.0 112.008 179.436 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1895 ' ' ARG . . . . . . . . . . . . . 9.8 ttp180 -66.4 -45.19 80.8 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.84 -0.429 . . . . 0.0 109.84 179.107 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1896 ' ' LEU . . . . . 0.459 HD12 ' HB2' ' A' 1857 ' ' MET . 57.3 tp -55.95 -50.55 70.45 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.32 -179.757 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1897 ' ' ALA . . . . . . . . . . . . . . . -64.01 -25.59 68.19 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.342 -178.491 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1898 ' ' SER . . . . . . . . . . . . . 48.9 m -81.58 -21.4 38.41 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.36 0.6 . . . . 0.0 110.095 -176.879 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1899 ' ' GLN . . . . . 0.451 ' OE1' ' HA ' ' A' 1857 ' ' MET . 81.0 mt-30 -91.36 -9.67 44.0 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.267 -0.879 . . . . 0.0 109.778 178.754 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1900 ' ' ALA . . . . . . . . . . . . . . . -80.23 -39.66 28.62 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-N 115.442 -0.799 . . . . 0.0 111.46 -178.805 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1901 ' ' LYS . . . . . 0.427 ' HB3' ' HD3' ' A' 1902 ' ' PRO . 87.6 tttt -63.54 -57.3 20.38 Favored Pre-proline 0 CA--C 1.538 0.495 0 CA-C-N 116.162 -0.472 . . . . 0.0 112.125 -176.263 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1902 ' ' PRO . . . . . 0.522 ' HA ' HG22 ' A' 1905 ' ' VAL . 37.5 Cg_endo -65.56 -22.57 58.27 Favored 'Trans proline' 0 C--N 1.355 0.882 0 C-N-CA 121.902 1.735 . . . . 0.0 112.177 -178.785 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1903 ' ' ALA . . . . . 0.562 ' HB2' ' HB3' ' A' 1853 ' ' TYR . . . -72.13 -33.55 67.89 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.057 0.456 . . . . 0.0 110.437 177.23 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1904 ' ' ALA . . . . . 0.421 ' HB2' ' HD2' ' A' 1917 ' ' LYS . . . -76.87 -38.41 53.72 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.773 -0.649 . . . . 0.0 111.07 -176.62 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1905 ' ' VAL . . . . . 0.522 HG22 ' HA ' ' A' 1902 ' ' PRO . 29.5 m -75.64 -14.06 15.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.894 -179.693 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1906 ' ' ALA . . . . . . . . . . . . . . . -95.81 -25.41 16.05 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.956 0.407 . . . . 0.0 110.697 176.395 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1907 ' ' ALA . . . . . . . . . . . . . . . -67.1 116.61 8.1 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.65 -176.691 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1908 ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -75.67 -32.52 60.2 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.61 -0.723 . . . . 0.0 111.045 177.422 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1909 ' ' ASN . . . . . . . . . . . . . 40.9 t-20 -80.74 131.62 35.45 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.233 -177.37 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1910 ' ' GLU . . . . . . . . . . . . . 44.3 tt0 -52.69 -51.8 58.71 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.285 -0.87 . . . . 0.0 111.489 -178.737 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1911 ' ' GLU . . . . . . . . . . . . . 11.6 mt-10 -70.95 -37.19 72.81 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.805 -0.634 . . . . 0.0 112.053 -173.857 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1912 ' ' ILE . . . . . 0.552 ' O ' HG13 ' A' 1916 ' ' ILE . 56.0 mt -56.4 -53.29 42.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 C-N-CA 120.574 -0.45 . . . . 0.0 109.823 178.873 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1913 ' ' GLY . . . . . . . . . . . . . . . -62.74 -33.63 87.37 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.95 -0.643 . . . . 0.0 112.53 179.572 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1914 ' ' ALA . . . . . . . . . . . . . . . -73.31 -47.86 39.23 Favored 'General case' 0 C--N 1.329 -0.3 0 O-C-N 122.766 -0.255 . . . . 0.0 110.907 -178.438 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1915 ' ' HIS . . . . . 0.485 ' O ' ' HG2' ' A' 1919 ' ' ARG . 71.6 m-70 -60.01 -40.34 88.91 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.101 -177.704 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1916 ' ' ILE . . . . . 0.552 HG13 ' O ' ' A' 1912 ' ' ILE . 90.2 mt -52.52 -59.43 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 O-C-N 123.473 0.483 . . . . 0.0 111.393 -179.224 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1917 ' ' LYS . . . . . 0.581 ' HA ' HG22 ' A' 1920 ' ' VAL . 0.0 OUTLIER -71.02 -36.2 72.3 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 120.591 -0.444 . . . . 0.0 111.122 -178.968 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A 1918 ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -56.9 -41.32 77.89 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.689 0.281 . . . . 0.0 111.519 179.838 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1919 ' ' ARG . . . . . 0.485 ' HG2' ' O ' ' A' 1915 ' ' HIS . 31.6 mmt180 -76.9 -43.61 35.05 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.564 -0.289 . . . . 0.0 111.209 -178.197 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1920 ' ' VAL . . . . . 0.581 HG22 ' HA ' ' A' 1917 ' ' LYS . 28.8 m -71.89 -31.55 41.29 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.212 0 C-N-CA 120.958 -0.297 . . . . 0.0 111.507 -177.675 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1921 ' ' GLN . . . . . 0.56 ' HB2' ' O ' ' A' 1917 ' ' LYS . 0.0 OUTLIER -65.64 -44.64 85.79 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 109.145 -0.687 . . . . 0.0 109.145 177.369 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A 1922 ' ' GLU . . . . . 0.822 ' HB3' ' HD3' ' A' 1960 ' ' LYS . 12.8 mm-40 -69.16 -31.56 70.3 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.305 -0.861 . . . . 0.0 111.17 176.326 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1923 ' ' LEU . . . . . 0.438 ' HB2' ' HA ' ' A' 1920 ' ' VAL . 21.3 mt -65.48 -29.5 70.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.357 173.709 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1924 ' ' GLY . . . . . . . . . . . . . . . -62.15 -47.27 90.94 Favored Glycine 0 N--CA 1.447 -0.604 0 C-N-CA 120.824 -0.703 . . . . 0.0 111.416 174.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1925 ' ' HIS . . . . . . . . . . . . . 35.9 m170 -58.99 -47.17 86.12 Favored 'General case' 0 CA--C 1.519 -0.219 0 CA-C-O 120.939 0.399 . . . . 0.0 110.229 176.592 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1926 ' ' GLY . . . . . 0.405 ' O ' ' HB2' ' A' 1930 ' ' LEU . . . -62.29 -47.28 90.79 Favored Glycine 0 N--CA 1.449 -0.494 0 C-N-CA 120.883 -0.675 . . . . 0.0 112.211 179.701 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1927 ' ' CYS . . . . . 0.453 ' SG ' HD22 ' A' 1889 ' ' LEU . 38.9 t -58.9 -51.29 70.67 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.59 0.233 . . . . 0.0 110.672 178.949 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1928 ' ' SER . . . . . . . . . . . . . 20.4 t -63.01 -39.74 95.67 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.905 -176.966 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1929 ' ' ALA . . . . . . . . . . . . . . . -69.49 -45.74 68.25 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.614 0.245 . . . . 0.0 110.901 178.816 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1930 ' ' LEU . . . . . 0.405 ' HB2' ' O ' ' A' 1926 ' ' GLY . 0.5 OUTLIER -59.71 -48.63 80.92 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.703 -178.757 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A 1931 ' ' VAL . . . . . . . . . . . . . 32.7 m -64.66 -31.47 53.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 C-N-CA 121.074 -0.25 . . . . 0.0 111.229 -177.937 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1932 ' ' THR . . . . . . . . . . . . . 87.9 m -66.24 -42.47 88.56 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.029 0.442 . . . . 0.0 110.349 176.378 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1933 ' ' LYS . . . . . 0.422 ' HD3' ' HA ' ' A' 1933 ' ' LYS . 68.5 mmtt -73.05 -34.25 66.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.027 179.005 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1934 ' ' ALA . . . . . . . . . . . . . . . -60.73 -47.83 84.53 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 110.132 -0.321 . . . . 0.0 110.132 175.58 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1935 ' ' GLY . . . . . . . . . . . . . . . -69.62 -31.22 70.61 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.98 -0.628 . . . . 0.0 112.366 178.028 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1936 ' ' ALA . . . . . . . . . . . . . . . -67.14 -49.39 65.01 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.769 0.319 . . . . 0.0 110.907 178.484 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1937 ' ' LEU . . . . . 0.554 ' HB2' HG22 ' A' 1946 ' ' THR . 43.8 tp -67.4 -31.07 71.04 Favored 'General case' 0 CA--C 1.514 -0.433 0 CA-C-O 121.296 0.57 . . . . 0.0 109.668 178.313 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1938 ' ' GLN . . . . . 0.424 ' HA ' ' HB2' ' A' 1879 ' ' PRO . 4.9 tt0 -57.26 -39.38 75.5 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.138 -0.937 . . . . 0.0 110.571 178.565 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1939 ' ' CYS . . . . . . . . . . . . . 47.5 m -87.14 -13.26 44.63 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.692 -0.686 . . . . 0.0 111.601 -178.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1940 ' ' SER . . . . . . . . . . . . . 50.4 m -149.96 88.01 4.92 Favored Pre-proline 0 C--N 1.327 -0.402 0 CA-C-O 120.75 0.31 . . . . 0.0 111.562 -177.379 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1941 ' ' PRO . . . . . 0.834 ' HB3' ' HG3' ' A' 1879 ' ' PRO . 60.7 Cg_endo -74.48 -11.19 22.47 Favored 'Trans proline' 0 C--O 1.233 0.268 0 C-N-CA 122.622 2.214 . . . . 0.0 112.587 -179.671 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1942 ' ' SER . . . . . . . . . . . . . 31.0 m -86.96 -5.26 59.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.299 -178.262 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1943 ' ' ASP . . . . . . . . . . . . . 18.1 t70 -94.08 106.23 18.21 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.838 0.351 . . . . 0.0 110.162 -179.719 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1944 ' ' VAL . . . . . 0.494 ' O ' ' HG2' ' A' 1948 ' ' LYS . 8.2 p -70.82 -34.01 54.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.372 -176.032 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1945 ' ' TYR . . . . . 0.435 ' O ' ' HG3' ' A' 1949 ' ' GLU . 47.0 m-85 -59.21 -48.31 82.08 Favored 'General case' 0 CA--C 1.518 -0.274 0 CA-C-O 120.593 0.235 . . . . 0.0 111.024 -177.805 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1946 ' ' THR . . . . . 0.554 HG22 ' HB2' ' A' 1937 ' ' LEU . 88.5 m -57.31 -41.28 79.57 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.035 178.661 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1947 ' ' LYS . . . . . . . . . . . . . 27.4 ttpt -67.27 -42.72 83.38 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 110.137 -0.32 . . . . 0.0 110.137 179.055 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1948 ' ' LYS . . . . . 0.504 ' HE2' ' HA ' ' A' 1948 ' ' LYS . 9.3 mmpt? -58.31 -50.83 72.24 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.24 -0.436 . . . . 0.0 109.883 178.242 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1949 ' ' GLU . . . . . 0.435 ' HG3' ' O ' ' A' 1945 ' ' TYR . 37.5 mt-10 -62.34 -28.53 69.81 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.344 -178.709 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1950 ' ' LEU . . . . . . . . . . . . . 7.0 tt -62.89 -48.66 78.0 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 177.893 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1951 ' ' ILE . . . . . 0.511 HG13 ' HB ' ' A' 1872 ' ' VAL . 1.9 mp -64.72 -45.25 95.77 Favored 'Isoleucine or valine' 0 C--O 1.235 0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.197 175.566 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1952 ' ' GLU . . . . . 0.406 ' O ' ' HG3' ' A' 1956 ' ' ARG . 17.7 mm-40 -61.42 -26.76 68.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.784 -0.644 . . . . 0.0 112.09 -177.901 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1953 ' ' CYS . . . . . . . . . . . . . 10.2 t -86.38 -40.76 15.09 Favored 'General case' 0 C--N 1.322 -0.6 0 C-N-CA 121.054 -0.259 . . . . 0.0 110.419 179.432 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1954 ' ' ALA . . . . . . . . . . . . . . . -62.47 -42.45 99.49 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.25 -179.171 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1955 ' ' ARG . . . . . 0.42 HH11 ' HD3' ' A' 1955 ' ' ARG . 0.0 OUTLIER -62.72 -23.44 67.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.047 0.451 . . . . 0.0 110.75 -179.677 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A 1956 ' ' ARG . . . . . 0.406 ' HG3' ' O ' ' A' 1952 ' ' GLU . 64.3 mtp180 -73.99 -39.12 63.87 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.622 178.018 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1957 ' ' VAL . . . . . 0.624 ' O ' HG13 ' A' 1961 ' ' VAL . 8.8 m -86.32 -30.07 6.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.692 -174.181 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1958 ' ' SER . . . . . 0.448 ' O ' HG22 ' A' 1961 ' ' VAL . 15.5 p -65.94 -32.05 73.32 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.399 0.618 . . . . 0.0 110.476 179.526 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1959 ' ' GLU . . . . . . . . . . . . . 30.7 mm-40 -79.98 -28.66 39.5 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.296 0.569 . . . . 0.0 109.973 173.544 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1960 ' ' LYS . . . . . 0.822 ' HD3' ' HB3' ' A' 1922 ' ' GLU . 27.5 ttmt -74.79 -35.92 62.5 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.549 -0.75 . . . . 0.0 110.476 -176.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1961 ' ' VAL . . . . . 0.813 HG21 ' HB2' ' A' 1865 ' ' ALA . 14.8 m -66.22 -33.54 64.18 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.156 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 174.124 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1962 ' ' SER . . . . . 0.544 ' HA ' HD12 ' A' 1965 ' ' LEU . 44.5 m -68.37 -26.31 65.52 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.09 177.743 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1963 ' ' HIS . . . . . . . . . . . . . 60.1 m170 -76.61 -25.04 53.46 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.213 177.625 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1964 ' ' VAL . . . . . 0.58 ' O ' HD23 ' A' 1968 ' ' LEU . 91.3 t -68.88 -45.97 79.87 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.259 0 N-CA-C 108.796 -0.816 . . . . 0.0 108.796 171.027 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1965 ' ' LEU . . . . . 0.563 ' HG ' ' O ' ' A' 1961 ' ' VAL . 49.0 mt -53.39 -46.79 69.82 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.165 -0.925 . . . . 0.0 110.745 179.257 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1966 ' ' ALA . . . . . . . . . . . . . . . -71.62 -39.14 70.64 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.851 179.883 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1967 ' ' ALA . . . . . . . . . . . . . . . -59.6 -43.35 93.75 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-O 120.874 0.369 . . . . 0.0 111.94 -176.5 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1968 ' ' LEU . . . . . 0.674 ' HB3' ' HG3' ' A' 1854 ' ' GLN . 4.0 mm? -74.2 -19.15 60.63 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.947 -176.914 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1969 ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 . . . . . 0 C--N 1.326 -0.428 0 CA-C-O 120.983 0.42 . . . . 0.0 110.345 179.991 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A 1850 ' ' PHE . . . . . . . . . . . . . 77.9 t80 . . . . . 0 N--CA 1.452 -0.333 0 N-CA-C 108.726 -0.842 . . . . 0.0 108.726 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A 1851 ' ' VAL . . . . . . . . . . . . . 19.6 t -56.55 -44.61 81.17 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.918 0 CA-C-N 115.076 -0.965 . . . . 0.0 110.451 173.036 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1852 ' ' ASP . . . . . . . . . . . . . 15.2 t70 -59.82 -49.71 76.64 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.89 -0.595 . . . . 0.0 111.132 177.244 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1853 ' ' TYR . . . . . 0.516 ' O ' HG22 ' A' 1856 ' ' THR . 24.8 m-85 -63.28 -41.88 99.04 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.566 -179.713 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1854 ' ' GLN . . . . . 0.893 ' HG3' ' HB3' ' A' 1968 ' ' LEU . 44.4 tt0 -56.93 -57.1 13.98 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.646 176.909 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1855 ' ' THR . . . . . 0.576 ' O ' ' HG2' ' A' 1859 ' ' ARG . 35.0 m -57.19 -44.2 83.39 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.732 -0.667 . . . . 0.0 112.239 -174.647 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1856 ' ' THR . . . . . 0.516 HG22 ' O ' ' A' 1853 ' ' TYR . 14.2 t -62.41 -45.08 94.73 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 120.971 -0.292 . . . . 0.0 111.688 -175.343 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1857 ' ' MET . . . . . 0.5 ' HB2' HD12 ' A' 1896 ' ' LEU . 11.9 ptm -82.38 -24.08 34.65 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 120.722 -0.391 . . . . 0.0 111.792 -174.936 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1858 ' ' VAL . . . . . 0.465 HG13 ' O ' ' A' 1854 ' ' GLN . 27.4 m -73.42 -34.86 44.24 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.17 0 C-N-CA 119.799 -0.761 . . . . 0.0 109.986 174.937 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1859 ' ' ARG . . . . . 0.576 ' HG2' ' O ' ' A' 1855 ' ' THR . 37.0 mmt180 -61.55 -40.89 96.34 Favored 'General case' 0 N--CA 1.463 0.216 0 N-CA-C 109.255 -0.646 . . . . 0.0 109.255 172.636 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1860 ' ' THR . . . . . . . . . . . . . 32.8 m -66.3 -42.85 87.73 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.046 -0.979 . . . . 0.0 111.202 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1861 ' ' ALA . . . . . . . . . . . . . . . -59.4 -42.1 90.98 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.962 0.411 . . . . 0.0 110.76 178.585 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1862 ' ' LYS . . . . . . . . . . . . . 50.8 mttm -66.35 -38.19 87.04 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.303 178.111 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1863 ' ' ALA . . . . . . . . . . . . . . . -66.7 -38.01 85.87 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.775 177.908 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1864 ' ' ILE . . . . . 0.565 ' O ' HG13 ' A' 1868 ' ' VAL . 68.3 mt -64.39 -47.81 87.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.123 175.375 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1865 ' ' ALA . . . . . 0.784 ' HB2' HG21 ' A' 1961 ' ' VAL . . . -57.28 -49.52 75.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.973 -178.598 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1866 ' ' VAL . . . . . . . . . . . . . 12.3 p -64.58 -27.52 42.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 C-N-CA 120.787 -0.365 . . . . 0.0 110.67 -179.007 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1867 ' ' THR . . . . . 0.652 ' O ' ' HG3' ' A' 1871 ' ' MET . 85.4 m -66.51 -51.4 57.1 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-N 116.548 -0.296 . . . . 0.0 110.572 176.192 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1868 ' ' VAL . . . . . 0.565 HG13 ' O ' ' A' 1864 ' ' ILE . 1.6 m -65.17 -29.64 47.91 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.186 0 CA-C-O 121.745 0.784 . . . . 0.0 109.9 -178.835 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1869 ' ' GLN . . . . . . . . . . . . . 53.9 tp60 -74.25 -27.04 60.57 Favored 'General case' 0 N--CA 1.425 -1.722 0 CA-C-N 114.779 -1.101 . . . . 0.0 110.225 179.853 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1870 ' ' GLU . . . . . 0.524 ' O ' ' HG2' ' A' 1874 ' ' LYS . 30.7 mt-10 -74.61 -39.62 62.05 Favored 'General case' 0 C--O 1.221 -0.406 0 N-CA-C 109.726 -0.472 . . . . 0.0 109.726 169.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1871 ' ' MET . . . . . 0.652 ' HG3' ' O ' ' A' 1867 ' ' THR . 43.4 mtp -56.03 -42.1 75.98 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.207 -177.643 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1872 ' ' VAL . . . . . 0.468 HG12 HG12 ' A' 1951 ' ' ILE . 15.6 m -72.31 -32.15 41.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.785 0.326 . . . . 0.0 111.47 177.643 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1873 ' ' THR . . . . . . . . . . . . . 90.0 m -71.94 -38.11 69.87 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.218 0.533 . . . . 0.0 110.38 178.254 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1874 ' ' LYS . . . . . 0.524 ' HG2' ' O ' ' A' 1870 ' ' GLU . 73.0 mmtt -68.49 -61.02 2.01 Favored 'General case' 0 C--O 1.214 -0.764 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.333 175.437 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1875 ' ' SER . . . . . . . . . . . . . 19.7 p -49.24 -28.91 5.06 Favored 'General case' 0 N--CA 1.472 0.637 0 N-CA-C 113.715 1.006 . . . . 0.0 113.715 -169.718 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1876 ' ' ASN . . . . . 0.435 ' HA ' ' HD2' ' A' 1947 ' ' LYS . 7.7 m-80 -58.37 -41.7 85.34 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 111.654 0.242 . . . . 0.0 111.654 178.637 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1877 ' ' THR . . . . . . . . . . . . . 53.1 p -121.51 -23.31 5.66 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.419 0.628 . . . . 0.0 111.539 -177.906 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1878 ' ' SER . . . . . . . . . . . . . 12.6 m -122.63 105.32 35.86 Favored Pre-proline 0 N--CA 1.439 -1.001 0 CA-C-N 115.237 -0.892 . . . . 0.0 111.853 -166.305 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1879 ' ' PRO . . . . . 0.539 ' HA ' HD12 ' A' 1882 ' ' LEU . 6.3 Cg_exo -79.85 -31.78 1.75 Allowed 'Trans proline' 0 N--CA 1.454 -0.837 0 C-N-CA 122.444 2.096 . . . . 0.0 111.167 172.608 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1880 ' ' GLU . . . . . . . . . . . . . 19.9 mt-10 -71.23 -41.91 69.56 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.041 -0.981 . . . . 0.0 111.118 -172.259 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1881 ' ' GLU . . . . . 0.435 ' CB ' ' HD2' ' A' 1874 ' ' LYS . 12.3 mm-40 -62.42 -14.96 46.28 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.534 -0.757 . . . . 0.0 111.814 -177.711 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1882 ' ' LEU . . . . . 0.539 HD12 ' HA ' ' A' 1879 ' ' PRO . 50.2 mt -76.32 -16.93 59.66 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.647 -177.141 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1883 ' ' GLY . . . . . . . . . . . . . . . -64.72 -61.65 5.71 Favored Glycine 0 N--CA 1.453 -0.188 0 C-N-CA 120.818 -0.706 . . . . 0.0 112.684 178.925 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1884 ' ' PRO . . . . . . . . . . . . . 16.1 Cg_endo -59.4 -33.18 97.49 Favored 'Trans proline' 0 N--CA 1.461 -0.395 0 C-N-CA 122.449 2.099 . . . . 0.0 112.255 177.746 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1885 ' ' LEU . . . . . 0.443 HD11 ' HG3' ' A' 1874 ' ' LYS . 69.6 mt -70.41 -41.63 72.7 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 111.843 0.312 . . . . 0.0 111.843 -178.387 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1886 ' ' ALA . . . . . . . . . . . . . . . -62.82 -43.33 99.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.189 0.519 . . . . 0.0 110.404 179.071 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1887 ' ' ASN . . . . . . . . . . . . . 86.6 m-20 -65.47 -39.84 92.46 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.02 175.685 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1888 ' ' GLN . . . . . . . . . . . . . 31.1 tp60 -63.15 -48.11 79.86 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.283 -178.602 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1889 ' ' LEU . . . . . 0.487 HD12 ' SD ' ' A' 1871 ' ' MET . 0.7 OUTLIER -58.16 -47.82 82.2 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.412 0.625 . . . . 0.0 109.317 177.968 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A 1890 ' ' THR . . . . . . . . . . . . . 87.1 m -58.19 -41.99 85.14 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.272 -0.876 . . . . 0.0 111.454 179.752 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1891 ' ' SER . . . . . . . . . . . . . 50.7 m -64.63 -48.64 74.12 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.516 -179.46 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1892 ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -71.85 -27.76 63.1 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 112.156 0.428 . . . . 0.0 112.156 -174.659 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1893 ' ' TYR . . . . . . . . . . . . . 44.9 t80 -61.09 -38.41 86.2 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.382 -0.527 . . . . 0.0 110.44 176.673 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1894 ' ' GLY . . . . . . . . . . . . . . . -63.27 -33.63 87.78 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.813 -0.708 . . . . 0.0 111.872 177.154 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1895 ' ' ARG . . . . . . . . . . . . . 34.4 ttm180 -69.02 -37.45 78.64 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.11 0.481 . . . . 0.0 110.361 176.587 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1896 ' ' LEU . . . . . 0.514 HD11 HG11 ' A' 1964 ' ' VAL . 57.1 tp -71.43 -53.17 14.9 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.451 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1897 ' ' ALA . . . . . . . . . . . . . . . -63.71 -24.83 67.93 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.925 -0.58 . . . . 0.0 112.234 -173.385 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1898 ' ' SER . . . . . . . . . . . . . 8.8 p -79.87 -24.8 40.98 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.757 0.313 . . . . 0.0 111.001 -176.27 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1899 ' ' GLN . . . . . 0.487 ' HA ' ' OE1' ' A' 1899 ' ' GLN . 12.2 mm-40 -83.81 -11.64 56.75 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.589 179.873 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1900 ' ' ALA . . . . . . . . . . . . . . . -67.68 -24.17 65.38 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.681 176.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1901 ' ' LYS . . . . . 0.71 ' HB3' ' HD3' ' A' 1902 ' ' PRO . 24.1 tptm -75.22 -56.55 1.92 Allowed Pre-proline 0 CA--C 1.542 0.659 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.609 -178.767 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1902 ' ' PRO . . . . . 0.71 ' HD3' ' HB3' ' A' 1901 ' ' LYS . 23.3 Cg_exo -64.98 -30.25 57.06 Favored 'Trans proline' 0 C--N 1.358 1.073 0 C-N-CA 121.986 1.791 . . . . 0.0 112.156 -179.867 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1903 ' ' ALA . . . . . . . . . . . . . . . -70.57 -27.0 63.8 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.685 178.691 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1904 ' ' ALA . . . . . . . . . . . . . . . -77.42 -36.14 53.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.644 -178.435 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1905 ' ' VAL . . . . . 0.414 HG22 ' HA ' ' A' 1902 ' ' PRO . 34.4 m -83.63 -9.07 11.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.184 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1906 ' ' ALA . . . . . . . . . . . . . . . -107.87 1.58 22.83 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.208 0.528 . . . . 0.0 110.594 176.305 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1907 ' ' ALA . . . . . 0.463 ' HB1' ' HB ' ' A' 1912 ' ' ILE . . . -72.04 119.71 16.61 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.894 -179.453 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1908 ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -67.41 -43.53 81.04 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.226 0.536 . . . . 0.0 110.533 179.233 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1909 ' ' ASN . . . . . 0.772 ' HB2' HG13 ' A' 1912 ' ' ILE . 5.2 m-20 -97.39 156.2 16.57 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.552 -177.508 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1910 ' ' GLU . . . . . . . . . . . . . 30.9 tt0 -62.33 -51.94 65.64 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.969 -179.726 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1911 ' ' GLU . . . . . 0.441 ' HB3' ' CD2' ' A' 1915 ' ' HIS . 32.3 mt-10 -65.25 -28.25 69.22 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.711 -0.677 . . . . 0.0 112.387 -174.19 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1912 ' ' ILE . . . . . 0.772 HG13 ' HB2' ' A' 1909 ' ' ASN . 37.5 mt -56.85 -54.6 27.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 C-N-CA 120.37 -0.532 . . . . 0.0 110.004 -179.762 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1913 ' ' GLY . . . . . . . . . . . . . . . -65.56 -27.89 73.04 Favored Glycine 0 N--CA 1.453 -0.222 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.228 179.656 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1914 ' ' ALA . . . . . . . . . . . . . . . -71.43 -49.57 40.35 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.871 0.367 . . . . 0.0 110.206 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1915 ' ' HIS . . . . . 0.666 ' O ' ' HG2' ' A' 1919 ' ' ARG . 90.0 m-70 -65.92 -39.97 91.03 Favored 'General case' 0 N--CA 1.449 -0.503 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.156 -176.756 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1916 ' ' ILE . . . . . 0.568 HG13 ' O ' ' A' 1912 ' ' ILE . 99.1 mt -54.01 -57.96 4.6 Favored 'Isoleucine or valine' 0 C--O 1.235 0.298 0 CA-C-O 120.744 0.307 . . . . 0.0 111.373 179.837 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1917 ' ' LYS . . . . . . . . . . . . . 52.3 mtmt -67.03 -24.26 65.98 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.033 0.444 . . . . 0.0 111.177 -177.906 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1918 ' ' HIS . . . . . . . . . . . . . 32.9 t-80 -72.6 -48.68 37.77 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.604 179.38 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1919 ' ' ARG . . . . . 0.836 ' HD2' ' HB3' ' A' 1963 ' ' HIS . 28.4 mmt180 -69.68 -34.46 73.98 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.478 -173.135 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1920 ' ' VAL . . . . . . . . . . . . . 33.1 m -72.74 -24.86 21.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 121.088 0.471 . . . . 0.0 110.684 178.374 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1921 ' ' GLN . . . . . . . . . . . . . 57.8 tt0 -73.17 -34.09 65.82 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-O 121.161 0.505 . . . . 0.0 109.639 177.284 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1922 ' ' GLU . . . . . . . . . . . . . 53.7 mt-10 -61.3 -46.02 92.06 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.039 175.205 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1923 ' ' LEU . . . . . 0.697 ' HG ' ' HB3' ' A' 1960 ' ' LYS . 18.5 mt -64.15 -30.25 71.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.008 177.701 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1924 ' ' GLY . . . . . . . . . . . . . . . -57.2 -38.56 86.86 Favored Glycine 0 N--CA 1.453 -0.202 0 C-N-CA 120.999 -0.62 . . . . 0.0 112.214 178.659 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1925 ' ' HIS . . . . . . . . . . . . . 30.6 m170 -71.27 -54.39 11.06 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.032 0.444 . . . . 0.0 110.204 177.783 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1926 ' ' GLY . . . . . 0.44 ' HA3' HG12 ' A' 1957 ' ' VAL . . . -62.32 -44.84 97.1 Favored Glycine 0 N--CA 1.45 -0.43 0 CA-C-N 115.518 -0.765 . . . . 0.0 113.45 -174.674 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1927 ' ' CYS . . . . . . . . . . . . . 65.9 m -65.0 -41.88 95.0 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.886 0.343 . . . . 0.0 111.223 -176.9 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1928 ' ' SER . . . . . . . . . . . . . 9.6 t -67.87 -37.34 81.69 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.979 0.419 . . . . 0.0 110.386 -177.972 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1929 ' ' ALA . . . . . . . . . . . . . . . -72.1 -37.99 69.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.963 0.411 . . . . 0.0 110.619 177.651 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1930 ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -63.81 -49.86 71.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.757 -178.427 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1931 ' ' VAL . . . . . . . . . . . . . 29.6 m -64.79 -27.78 43.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.728 0.299 . . . . 0.0 111.239 -176.922 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1932 ' ' THR . . . . . . . . . . . . . 46.6 m -68.64 -43.88 75.35 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.866 0.365 . . . . 0.0 110.092 176.747 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1933 ' ' LYS . . . . . . . . . . . . . 43.4 mmtm -69.29 -37.53 77.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.685 176.937 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1934 ' ' ALA . . . . . . . . . . . . . . . -60.48 -44.1 96.27 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.542 176.967 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1935 ' ' GLY . . . . . . . . . . . . . . . -68.4 -39.37 87.43 Favored Glycine 0 N--CA 1.449 -0.494 0 C-N-CA 120.909 -0.662 . . . . 0.0 112.207 177.295 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1936 ' ' ALA . . . . . . . . . . . . . . . -64.27 -48.86 74.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.493 0.187 . . . . 0.0 111.233 -179.446 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1937 ' ' LEU . . . . . 0.558 ' HB2' HG22 ' A' 1946 ' ' THR . 49.7 tp -68.37 -26.54 65.63 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.264 0.554 . . . . 0.0 110.101 179.111 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1938 ' ' GLN . . . . . . . . . . . . . 35.1 tt0 -65.6 -43.85 88.37 Favored 'General case' 0 N--CA 1.445 -0.683 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.338 179.583 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1939 ' ' CYS . . . . . . . . . . . . . 27.8 p -85.33 -17.84 35.6 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.834 -179.772 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1940 ' ' SER . . . . . . . . . . . . . 48.6 m -136.49 87.76 21.17 Favored Pre-proline 0 C--N 1.325 -0.46 0 CA-C-O 120.836 0.35 . . . . 0.0 111.221 -177.028 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1941 ' ' PRO . . . . . . . . . . . . . 85.3 Cg_endo -86.53 0.83 7.85 Favored 'Trans proline' 0 N--CA 1.463 -0.292 0 C-N-CA 122.905 2.403 . . . . 0.0 113.214 -177.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1942 ' ' SER . . . . . . . . . . . . . 33.6 t -92.88 -1.1 57.04 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.084 0.469 . . . . 0.0 110.116 -179.828 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1943 ' ' ASP . . . . . . . . . . . . . 13.8 t70 -106.4 107.84 19.05 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.419 -179.017 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1944 ' ' VAL . . . . . . . . . . . . . 9.9 p -74.96 -24.22 17.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.676 -177.068 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1945 ' ' TYR . . . . . 0.474 ' O ' ' HG3' ' A' 1949 ' ' GLU . 91.5 m-85 -70.34 -41.95 72.53 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.478 -175.877 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1946 ' ' THR . . . . . 0.558 HG22 ' HB2' ' A' 1937 ' ' LEU . 80.7 m -56.71 -42.79 79.79 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.154 173.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1947 ' ' LYS . . . . . 0.509 ' HA ' HD22 ' A' 1937 ' ' LEU . 30.7 ttpt -63.49 -42.67 98.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.168 177.783 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1948 ' ' LYS . . . . . 0.67 ' O ' ' HG2' ' A' 1952 ' ' GLU . 9.6 mmpt? -59.42 -54.61 44.68 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.335 179.415 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1949 ' ' GLU . . . . . 0.474 ' HG3' ' O ' ' A' 1945 ' ' TYR . 37.3 mt-10 -59.43 -36.38 75.79 Favored 'General case' 0 N--CA 1.462 0.167 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.264 -176.012 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1950 ' ' LEU . . . . . . . . . . . . . 9.6 tt -57.02 -52.69 64.28 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.045 177.064 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1951 ' ' ILE . . . . . 0.468 HG12 HG12 ' A' 1872 ' ' VAL . 63.2 mt -68.35 -37.97 78.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.83 -177.77 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1952 ' ' GLU . . . . . 0.67 ' HG2' ' O ' ' A' 1948 ' ' LYS . 26.7 mm-40 -61.6 -30.46 70.7 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-O 121.022 0.439 . . . . 0.0 110.287 178.503 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1953 ' ' CYS . . . . . . . . . . . . . 12.2 t -85.41 -43.4 13.67 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.961 -179.183 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1954 ' ' ALA . . . . . 0.518 ' O ' HG22 ' A' 1957 ' ' VAL . . . -57.06 -39.86 75.73 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.01 -0.541 . . . . 0.0 112.171 -175.473 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1955 ' ' ARG . . . . . 0.469 HH11 ' HD2' ' A' 1955 ' ' ARG . 10.3 ptp85 -64.93 -25.42 67.87 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.879 0.371 . . . . 0.0 111.177 -178.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1956 ' ' ARG . . . . . . . . . . . . . 71.0 mtp180 -77.9 -40.11 40.9 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.739 -176.412 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1957 ' ' VAL . . . . . 0.575 ' O ' HG13 ' A' 1961 ' ' VAL . 12.4 m -67.58 -29.83 46.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 116.488 -0.324 . . . . 0.0 110.876 -175.845 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1958 ' ' SER . . . . . 0.708 ' O ' HG22 ' A' 1961 ' ' VAL . 3.0 m -61.74 -24.29 66.71 Favored 'General case' 0 CA--C 1.53 0.18 0 CA-C-O 121.127 0.489 . . . . 0.0 110.549 177.935 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1959 ' ' GLU . . . . . . . . . . . . . 60.9 mm-40 -73.32 -38.92 65.63 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.057 0.456 . . . . 0.0 109.912 175.572 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1960 ' ' LYS . . . . . 0.697 ' HB3' ' HG ' ' A' 1923 ' ' LEU . 4.3 mptp? -69.09 -30.1 68.32 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.83 -177.91 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1961 ' ' VAL . . . . . 0.784 HG21 ' HB2' ' A' 1865 ' ' ALA . 1.9 m -66.08 -35.26 74.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 N-CA-C 109.44 -0.578 . . . . 0.0 109.44 176.916 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1962 ' ' SER . . . . . 0.634 ' HA ' HD12 ' A' 1965 ' ' LEU . 45.0 t -73.1 -29.05 62.63 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-N 115.581 -0.736 . . . . 0.0 109.363 175.745 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1963 ' ' HIS . . . . . 0.836 ' HB3' ' HD2' ' A' 1919 ' ' ARG . 50.0 m170 -67.24 -38.19 84.78 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.25 177.301 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1964 ' ' VAL . . . . . 0.514 HG11 HD11 ' A' 1896 ' ' LEU . 88.1 t -62.35 -44.17 98.92 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.317 0 N-CA-C 109.553 -0.536 . . . . 0.0 109.553 173.659 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1965 ' ' LEU . . . . . 0.634 HD12 ' HA ' ' A' 1962 ' ' SER . 70.7 mt -55.93 -46.34 78.52 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.771 178.945 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1966 ' ' ALA . . . . . . . . . . . . . . . -74.52 -27.72 60.66 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.766 -179.0 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1967 ' ' ALA . . . . . . . . . . . . . . . -70.16 -40.17 74.88 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.952 0.406 . . . . 0.0 110.822 179.786 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1968 ' ' LEU . . . . . 0.893 ' HB3' ' HG3' ' A' 1854 ' ' GLN . 4.4 mm? -77.64 -38.63 47.47 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.883 179.383 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1969 ' ' GLN . . . . . . . . . . . . . 48.6 mt-30 . . . . . 0 C--O 1.235 0.291 0 CA-C-O 121.292 0.568 . . . . 0.0 110.613 179.113 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A 1850 ' ' PHE . . . . . . . . . . . . . 73.6 t80 . . . . . 0 N--CA 1.455 -0.219 0 CA-C-O 120.969 0.414 . . . . 0.0 110.382 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A 1851 ' ' VAL . . . . . . . . . . . . . 3.5 m -66.15 -27.48 40.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.866 -0.607 . . . . 0.0 111.17 -177.682 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1852 ' ' ASP . . . . . . . . . . . . . 19.4 m-20 -63.24 -56.45 16.52 Favored 'General case' 0 CA--C 1.518 -0.264 0 CA-C-O 121.45 0.643 . . . . 0.0 109.912 179.312 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1853 ' ' TYR . . . . . 0.569 ' O ' ' HG2' ' A' 1857 ' ' MET . 35.4 m-85 -70.44 -35.28 73.27 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.122 -0.945 . . . . 0.0 110.193 -178.236 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1854 ' ' GLN . . . . . 0.852 ' HG3' ' HB3' ' A' 1968 ' ' LEU . 50.6 tt0 -52.83 -53.48 47.98 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.736 176.907 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1855 ' ' THR . . . . . 0.474 ' O ' ' HG2' ' A' 1859 ' ' ARG . 32.8 m -61.23 -42.86 99.35 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.792 -0.64 . . . . 0.0 112.102 -174.4 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1856 ' ' THR . . . . . 0.421 HG23 ' N ' ' A' 1857 ' ' MET . 9.2 t -69.91 -47.05 63.97 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 112.141 0.423 . . . . 0.0 112.141 -173.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1857 ' ' MET . . . . . 0.569 ' HG2' ' O ' ' A' 1853 ' ' TYR . 12.2 ptm -77.06 -23.61 51.98 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 120.783 -0.367 . . . . 0.0 111.843 -172.465 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1858 ' ' VAL . . . . . 0.442 HG13 ' O ' ' A' 1854 ' ' GLN . 25.7 m -72.75 -31.7 37.75 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.11 0 C-N-CA 119.772 -0.771 . . . . 0.0 109.613 173.507 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1859 ' ' ARG . . . . . 0.555 ' HA ' ' HD2' ' A' 1862 ' ' LYS . 23.5 mmm180 -71.74 -38.94 70.38 Favored 'General case' 0 C--N 1.332 -0.168 0 N-CA-C 109.741 -0.466 . . . . 0.0 109.741 174.94 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1860 ' ' THR . . . . . . . . . . . . . 31.8 m -62.73 -41.42 99.16 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.447 177.298 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1861 ' ' ALA . . . . . 0.405 ' HB1' ' HB ' ' A' 1961 ' ' VAL . . . -59.8 -40.53 88.69 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.922 177.748 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1862 ' ' LYS . . . . . 0.555 ' HD2' ' HA ' ' A' 1859 ' ' ARG . 44.0 mttm -64.86 -39.47 93.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.413 177.947 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1863 ' ' ALA . . . . . . . . . . . . . . . -64.33 -38.78 92.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.556 177.711 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1864 ' ' ILE . . . . . 0.622 ' O ' HG13 ' A' 1868 ' ' VAL . 79.2 mt -64.78 -48.5 84.24 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.031 174.615 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1865 ' ' ALA . . . . . 0.937 ' HB2' HG21 ' A' 1961 ' ' VAL . . . -56.29 -45.92 80.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.907 -0.588 . . . . 0.0 112.285 -177.853 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1866 ' ' VAL . . . . . . . . . . . . . 13.1 p -67.59 -32.03 55.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 C-N-CA 120.759 -0.376 . . . . 0.0 110.31 -179.411 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1867 ' ' THR . . . . . 0.667 ' O ' ' HG3' ' A' 1871 ' ' MET . 96.0 m -66.12 -50.65 63.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.538 178.232 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1868 ' ' VAL . . . . . 0.622 HG13 ' O ' ' A' 1864 ' ' ILE . 2.1 m -62.1 -30.73 49.37 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.233 0 CA-C-O 121.504 0.669 . . . . 0.0 110.053 -179.492 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1869 ' ' GLN . . . . . . . . . . . . . 60.5 tp60 -76.08 -27.86 57.34 Favored 'General case' 0 N--CA 1.425 -1.721 0 CA-C-N 115.143 -0.935 . . . . 0.0 110.291 -179.009 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1870 ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -75.84 -40.05 55.53 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.132 172.144 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1871 ' ' MET . . . . . 0.667 ' HG3' ' O ' ' A' 1867 ' ' THR . 60.9 mtp -58.04 -45.62 86.7 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.989 -178.37 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1872 ' ' VAL . . . . . 0.449 HG12 ' HA ' ' A' 1951 ' ' ILE . 28.9 m -69.79 -33.62 56.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.432 179.389 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1873 ' ' THR . . . . . . . . . . . . . 89.4 m -68.37 -51.04 48.66 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.0 0.429 . . . . 0.0 110.384 177.109 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1874 ' ' LYS . . . . . . . . . . . . . 71.0 mmtt -62.34 -34.92 77.58 Favored 'General case' 0 C--O 1.217 -0.628 0 CA-C-N 115.46 -0.791 . . . . 0.0 111.689 -176.589 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1875 ' ' SER . . . . . 0.61 ' HA ' HD11 ' A' 1882 ' ' LEU . 93.2 p -55.58 -20.39 13.34 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 112.702 0.63 . . . . 0.0 112.702 -173.404 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1876 ' ' ASN . . . . . . . . . . . . . 48.1 m-80 -84.9 -24.3 28.53 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 111.522 0.194 . . . . 0.0 111.522 -177.459 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1877 ' ' THR . . . . . . . . . . . . . 50.0 p -120.29 -28.6 5.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.202 0.525 . . . . 0.0 111.818 -177.358 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1878 ' ' SER . . . . . . . . . . . . . 4.7 m -134.84 116.09 12.43 Favored Pre-proline 0 CA--C 1.506 -0.721 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.685 -171.678 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1879 ' ' PRO . . . . . 0.934 ' HA ' HD12 ' A' 1882 ' ' LEU . 6.2 Cg_exo -82.15 -29.21 1.66 Allowed 'Trans proline' 0 N--CA 1.445 -1.35 0 C-N-CA 121.93 1.754 . . . . 0.0 110.286 162.204 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1880 ' ' GLU . . . . . . . . . . . . . 69.0 mm-40 -56.56 -58.09 9.56 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.023 -0.989 . . . . 0.0 112.079 -176.917 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1881 ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -61.27 -13.91 22.34 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-N 116.155 -0.475 . . . . 0.0 112.261 -177.673 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1882 ' ' LEU . . . . . 0.934 HD12 ' HA ' ' A' 1879 ' ' PRO . 9.6 mt -72.7 -22.81 60.84 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 112.083 0.401 . . . . 0.0 112.083 -175.852 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1883 ' ' GLY . . . . . . . . . . . . . . . -66.14 -60.74 6.09 Favored Glycine 0 CA--C 1.517 0.197 0 C-N-CA 120.704 -0.76 . . . . 0.0 111.998 178.69 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1884 ' ' PRO . . . . . . . . . . . . . 11.3 Cg_endo -57.13 -37.37 98.36 Favored 'Trans proline' 0 C--N 1.346 0.417 0 C-N-CA 122.503 2.135 . . . . 0.0 112.428 175.507 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1885 ' ' LEU . . . . . 0.656 ' HB3' ' HG2' ' A' 1871 ' ' MET . 38.4 mt -61.51 -41.4 97.25 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-O 120.556 0.217 . . . . 0.0 111.38 179.494 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1886 ' ' ALA . . . . . . . . . . . . . . . -63.72 -45.81 88.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.977 0.418 . . . . 0.0 110.626 178.029 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1887 ' ' ASN . . . . . . . . . . . . . 57.8 t30 -63.94 -38.0 89.48 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.086 177.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1888 ' ' GLN . . . . . . . . . . . . . 31.6 tp60 -62.26 -50.65 70.87 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.343 -0.844 . . . . 0.0 111.059 -179.314 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1889 ' ' LEU . . . . . 0.589 HD22 ' SG ' ' A' 1927 ' ' CYS . 1.3 tt -57.65 -43.33 84.84 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 178.526 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1890 ' ' THR . . . . . . . . . . . . . 87.1 m -60.92 -45.03 96.27 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.277 -0.874 . . . . 0.0 111.904 -178.237 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1891 ' ' SER . . . . . . . . . . . . . 63.0 m -68.3 -44.2 75.97 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 111.945 0.35 . . . . 0.0 111.945 -177.05 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1892 ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -67.22 -29.33 68.95 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.993 -0.283 . . . . 0.0 111.287 -178.692 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1893 ' ' TYR . . . . . . . . . . . . . 50.1 t80 -61.39 -37.71 84.41 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 120.919 -0.312 . . . . 0.0 110.428 174.657 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1894 ' ' GLY . . . . . . . . . . . . . . . -60.23 -37.61 93.25 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.897 -0.668 . . . . 0.0 111.684 178.522 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1895 ' ' ARG . . . . . 0.474 ' O ' ' HG2' ' A' 1899 ' ' GLN . 73.3 ttt180 -66.26 -46.67 76.28 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.018 0.437 . . . . 0.0 110.179 176.23 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1896 ' ' LEU . . . . . 0.5 HD12 ' HB2' ' A' 1857 ' ' MET . 49.9 tp -57.08 -48.83 77.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.469 -0.787 . . . . 0.0 111.283 179.401 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1897 ' ' ALA . . . . . . . . . . . . . . . -63.96 -24.24 67.65 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.607 -178.059 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1898 ' ' SER . . . . . . . . . . . . . 44.9 t -80.44 -19.91 45.03 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.021 0.438 . . . . 0.0 110.099 -177.249 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1899 ' ' GLN . . . . . 0.474 ' HG2' ' O ' ' A' 1895 ' ' ARG . 62.6 mm-40 -89.15 -24.16 22.27 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.85 -0.614 . . . . 0.0 109.835 178.92 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1900 ' ' ALA . . . . . . . . . . . . . . . -65.24 -36.32 83.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.648 -178.524 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1901 ' ' LYS . . . . . 0.651 ' HB3' ' HD3' ' A' 1902 ' ' PRO . 0.4 OUTLIER -62.4 -58.24 18.33 Favored Pre-proline 0 CA--C 1.541 0.613 0 CA-C-N 116.416 -0.357 . . . . 0.0 111.702 -179.297 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A 1902 ' ' PRO . . . . . 0.651 ' HD3' ' HB3' ' A' 1901 ' ' LYS . 7.9 Cg_exo -72.34 -26.08 17.74 Favored 'Trans proline' 0 C--N 1.352 0.739 0 C-N-CA 121.778 1.652 . . . . 0.0 112.522 -176.94 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1903 ' ' ALA . . . . . . . . . . . . . . . -68.47 -31.23 70.36 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.978 0.418 . . . . 0.0 110.658 178.719 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1904 ' ' ALA . . . . . . . . . . . . . . . -71.35 -30.06 65.72 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.451 -177.708 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1905 ' ' VAL . . . . . . . . . . . . . 28.8 m -96.42 -13.06 8.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.828 178.548 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1906 ' ' ALA . . . . . . . . . . . . . . . -78.18 -37.5 45.61 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.092 176.552 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1907 ' ' ALA . . . . . . . . . . . . . . . -71.82 146.72 47.82 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.113 175.726 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1908 ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -97.71 -12.75 21.98 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 120.931 0.396 . . . . 0.0 110.275 -179.644 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1909 ' ' ASN . . . . . . . . . . . . . 46.4 t-20 -96.52 136.08 37.53 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.048 -0.524 . . . . 0.0 109.931 177.573 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1910 ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -55.37 -53.16 59.63 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.607 -0.724 . . . . 0.0 111.162 178.413 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1911 ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -60.04 -44.2 94.83 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.858 -172.779 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1912 ' ' ILE . . . . . 0.531 ' O ' HG13 ' A' 1916 ' ' ILE . 59.1 mt -57.19 -53.76 39.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-O 120.713 0.292 . . . . 0.0 110.541 -177.375 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1913 ' ' GLY . . . . . 0.542 ' HA2' HD12 ' A' 1916 ' ' ILE . . . -69.31 -24.89 75.88 Favored Glycine 0 N--CA 1.449 -0.498 0 C-N-CA 120.854 -0.689 . . . . 0.0 112.325 -179.272 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1914 ' ' ALA . . . . . . . . . . . . . . . -73.4 -50.07 23.74 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.706 0.289 . . . . 0.0 110.354 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1915 ' ' HIS . . . . . 0.543 ' O ' ' HG2' ' A' 1919 ' ' ARG . 84.3 m-70 -57.67 -40.68 79.92 Favored 'General case' 0 CA--C 1.516 -0.344 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.907 -178.72 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1916 ' ' ILE . . . . . 0.542 HD12 ' HA2' ' A' 1913 ' ' GLY . 99.7 mt -50.75 -52.03 18.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.799 177.5 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1917 ' ' LYS . . . . . . . . . . . . . 36.3 mtmm -71.43 -28.4 63.96 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.333 -176.663 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1918 ' ' HIS . . . . . . . . . . . . . 37.9 m80 -74.54 -33.88 62.85 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.857 0.36 . . . . 0.0 111.169 178.813 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1919 ' ' ARG . . . . . 0.55 ' CD ' ' HB3' ' A' 1963 ' ' HIS . 28.2 mmt180 -80.92 -33.07 34.4 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.715 -175.145 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1920 ' ' VAL . . . . . . . . . . . . . 34.1 m -70.73 -27.47 30.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-O 121.253 0.549 . . . . 0.0 109.526 173.733 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1921 ' ' GLN . . . . . . . . . . . . . 29.9 tt0 -64.52 -40.98 96.64 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-N 115.437 -0.801 . . . . 0.0 110.079 176.077 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1922 ' ' GLU . . . . . 1.061 ' HB3' ' HD3' ' A' 1960 ' ' LYS . 30.3 mt-10 -58.18 -50.75 72.44 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.48 174.801 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1923 ' ' LEU . . . . . . . . . . . . . 40.8 mt -64.4 -32.37 73.96 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.603 -0.726 . . . . 0.0 111.64 -177.645 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1924 ' ' GLY . . . . . . . . . . . . . . . -59.73 -52.77 51.02 Favored Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 120.575 -0.822 . . . . 0.0 112.09 176.612 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1925 ' ' HIS . . . . . . . . . . . . . 39.8 m80 -68.43 -40.32 81.22 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.806 0.336 . . . . 0.0 110.635 -179.466 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1926 ' ' GLY . . . . . 0.41 ' HA3' HG12 ' A' 1957 ' ' VAL . . . -64.96 -40.67 97.33 Favored Glycine 0 N--CA 1.449 -0.446 0 C-N-CA 120.909 -0.663 . . . . 0.0 112.34 179.14 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1927 ' ' CYS . . . . . 0.589 ' SG ' HD22 ' A' 1889 ' ' LEU . 40.8 t -64.06 -47.17 81.21 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 110.377 -0.231 . . . . 0.0 110.377 178.679 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1928 ' ' SER . . . . . . . . . . . . . 12.6 t -59.28 -36.08 74.89 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.638 -178.638 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1929 ' ' ALA . . . . . . . . . . . . . . . -72.15 -46.58 55.91 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.849 0.357 . . . . 0.0 110.783 176.746 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1930 ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.94 -47.43 84.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.155 -176.833 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1931 ' ' VAL . . . . . . . . . . . . . 30.2 m -64.82 -27.79 43.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.701 0.286 . . . . 0.0 111.255 -177.116 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1932 ' ' THR . . . . . . . . . . . . . 55.6 m -72.59 -40.92 66.19 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.9 0.381 . . . . 0.0 110.083 176.08 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1933 ' ' LYS . . . . . . . . . . . . . 74.4 mmtt -68.82 -37.91 79.52 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.834 178.509 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1934 ' ' ALA . . . . . . . . . . . . . . . -60.6 -48.17 82.98 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.5 177.195 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1935 ' ' GLY . . . . . . . . . . . . . . . -65.35 -39.15 95.7 Favored Glycine 0 N--CA 1.449 -0.475 0 C-N-CA 120.895 -0.669 . . . . 0.0 111.765 177.483 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1936 ' ' ALA . . . . . . . . . . . . . . . -62.09 -44.43 96.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.483 0.183 . . . . 0.0 111.226 179.364 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1937 ' ' LEU . . . . . 0.403 ' CD2' ' HB2' ' A' 1875 ' ' SER . 35.0 tp -68.35 -32.18 72.09 Favored 'General case' 0 CA--C 1.513 -0.465 0 CA-C-O 120.943 0.401 . . . . 0.0 110.523 179.519 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1938 ' ' GLN . . . . . . . . . . . . . 36.1 tt0 -68.06 -26.61 65.93 Favored 'General case' 0 N--CA 1.446 -0.662 0 CA-C-O 121.2 0.524 . . . . 0.0 110.273 179.483 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1939 ' ' CYS . . . . . . . . . . . . . 62.2 m -83.38 -32.71 26.04 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.685 176.916 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1940 ' ' SER . . . . . . . . . . . . . 22.0 m -124.63 75.73 63.83 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.706 178.924 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1941 ' ' PRO . . . . . . . . . . . . . 26.9 Cg_exo -63.93 -24.65 67.41 Favored 'Trans proline' 0 C--N 1.345 0.345 0 C-N-CA 122.929 2.419 . . . . 0.0 113.438 -175.507 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1942 ' ' SER . . . . . . . . . . . . . 17.4 m -89.34 0.81 56.54 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.792 0.33 . . . . 0.0 111.483 -178.046 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1943 ' ' ASP . . . . . . . . . . . . . 19.4 t70 -93.71 110.4 22.03 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.919 0.39 . . . . 0.0 110.531 -178.079 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1944 ' ' VAL . . . . . . . . . . . . . 7.8 p -75.18 -28.01 20.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.845 -177.564 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1945 ' ' TYR . . . . . . . . . . . . . 77.0 m-85 -61.3 -47.74 84.57 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.297 -177.735 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1946 ' ' THR . . . . . . . . . . . . . 50.9 m -61.2 -40.13 92.8 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.396 -0.82 . . . . 0.0 110.925 177.346 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1947 ' ' LYS . . . . . . . . . . . . . 29.7 ttpt -66.16 -40.7 90.73 Favored 'General case' 0 N--CA 1.453 -0.283 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.195 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1948 ' ' LYS . . . . . 0.579 ' HE2' ' HA ' ' A' 1948 ' ' LYS . 9.4 mmpt? -57.48 -46.14 84.03 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.409 179.292 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1949 ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -62.31 -34.85 77.41 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.955 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1950 ' ' LEU . . . . . . . . . . . . . 6.4 tt -61.54 -49.42 76.74 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.623 -0.51 . . . . 0.0 109.623 178.387 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1951 ' ' ILE . . . . . 0.449 ' HA ' HG12 ' A' 1872 ' ' VAL . 1.8 mp -63.88 -44.13 97.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.47 177.649 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1952 ' ' GLU . . . . . 0.617 ' O ' ' HG3' ' A' 1956 ' ' ARG . 46.6 mt-10 -64.42 -30.57 71.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.411 -178.783 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1953 ' ' CYS . . . . . . . . . . . . . 33.5 t -81.32 -37.8 27.78 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.719 0.295 . . . . 0.0 110.897 179.759 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1954 ' ' ALA . . . . . . . . . . . . . . . -66.27 -36.46 83.03 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.837 0.351 . . . . 0.0 111.4 -178.93 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1955 ' ' ARG . . . . . 0.416 ' HG2' ' O ' ' A' 1952 ' ' GLU . 35.7 ptt180 -67.0 -25.15 66.16 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.795 0.331 . . . . 0.0 110.141 177.735 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1956 ' ' ARG . . . . . 0.617 ' HG3' ' O ' ' A' 1952 ' ' GLU . 89.2 mtt180 -74.82 -41.27 60.25 Favored 'General case' 0 C--O 1.219 -0.548 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.416 178.301 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1957 ' ' VAL . . . . . 0.556 ' O ' HG13 ' A' 1961 ' ' VAL . 11.9 m -80.83 -27.3 11.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 C-N-CA 120.674 -0.41 . . . . 0.0 111.545 -176.064 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1958 ' ' SER . . . . . 0.554 ' O ' HG22 ' A' 1961 ' ' VAL . 32.9 p -69.16 -24.02 64.02 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.622 0.248 . . . . 0.0 111.456 -176.446 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1959 ' ' GLU . . . . . 0.441 ' HG3' ' O ' ' A' 1956 ' ' ARG . 0.7 OUTLIER -80.39 -27.07 38.23 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 121.028 0.442 . . . . 0.0 110.254 170.921 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A 1960 ' ' LYS . . . . . 1.061 ' HD3' ' HB3' ' A' 1922 ' ' GLU . 52.7 mttm -76.84 -29.03 55.71 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.735 -176.533 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1961 ' ' VAL . . . . . 0.937 HG21 ' HB2' ' A' 1865 ' ' ALA . 3.2 m -66.14 -33.22 62.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 N-CA-C 108.714 -0.847 . . . . 0.0 108.714 171.848 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1962 ' ' SER . . . . . 0.681 ' HA ' HD12 ' A' 1965 ' ' LEU . 14.5 m -72.59 -25.67 61.41 Favored 'General case' 0 N--CA 1.45 -0.474 0 CA-C-N 115.204 -0.907 . . . . 0.0 109.877 176.434 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1963 ' ' HIS . . . . . 0.55 ' HB3' ' CD ' ' A' 1919 ' ' ARG . 65.6 m170 -72.77 -31.15 64.68 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.724 -0.671 . . . . 0.0 109.99 177.472 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1964 ' ' VAL . . . . . 0.423 ' O ' HD23 ' A' 1968 ' ' LEU . 91.7 t -65.76 -45.56 91.41 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.177 0 N-CA-C 108.745 -0.835 . . . . 0.0 108.745 172.06 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1965 ' ' LEU . . . . . 0.681 HD12 ' HA ' ' A' 1962 ' ' SER . 59.5 mt -54.51 -46.18 73.46 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.251 -0.886 . . . . 0.0 110.451 176.73 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1966 ' ' ALA . . . . . . . . . . . . . . . -69.36 -41.47 76.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.911 -179.589 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1967 ' ' ALA . . . . . . . . . . . . . . . -61.44 -44.95 96.22 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.894 0.378 . . . . 0.0 111.34 -179.776 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1968 ' ' LEU . . . . . 0.852 ' HB3' ' HG3' ' A' 1854 ' ' GLN . 4.3 mm? -72.41 -31.94 65.93 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.05 0.452 . . . . 0.0 110.847 179.761 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1969 ' ' GLN . . . . . . . . . . . . . 47.5 mt-30 . . . . . 0 C--N 1.325 -0.459 0 CA-C-O 120.88 0.372 . . . . 0.0 110.982 178.862 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A 1837 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.779 0 N-CA-C 111.729 -0.548 . . . . 0.0 111.729 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A 1838 ' ' ILE . . . . . . . . . . . . . 3.7 mp 62.03 92.98 0.04 OUTLIER 'Isoleucine or valine' 0 C--O 1.235 0.326 0 CA-C-O 121.768 0.794 . . . . 0.0 110.68 -176.024 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1839 ' ' ASP . . . . . . . . . . . . . 4.0 p30 -127.58 158.09 71.05 Favored Pre-proline 0 C--N 1.317 -0.835 0 N-CA-C 108.409 -0.96 . . . . 0.0 108.409 175.308 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1840 ' ' PRO . . . . . . . . . . . . . 16.5 Cg_exo -67.47 0.16 4.41 Favored 'Trans proline' 0 CA--C 1.53 0.283 0 C-N-CA 122.567 2.178 . . . . 0.0 113.367 -173.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1841 ' ' PHE . . . . . . . . . . . . . 82.9 m-85 -100.05 -45.07 5.79 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.936 -0.394 . . . . 0.0 109.936 177.561 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1842 ' ' THR . . . . . . . . . . . . . 23.6 p -73.28 -38.73 65.82 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-O 121.088 0.47 . . . . 0.0 110.676 175.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1843 ' ' MET . . . . . . . . . . . . . 50.4 ttm -143.31 93.56 2.5 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.882 -0.599 . . . . 0.0 109.496 176.112 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1844 ' ' GLY . . . . . . . . . . . . . . . -103.34 157.07 17.8 Favored Glycine 0 N--CA 1.446 -0.662 0 C-N-CA 120.647 -0.787 . . . . 0.0 112.615 -176.235 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1845 ' ' ASP . . . . . . . . . . . . . 18.1 m-20 -96.91 158.26 33.73 Favored Pre-proline 0 C--N 1.322 -0.627 0 N-CA-C 109.653 -0.499 . . . . 0.0 109.653 178.655 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1846 ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -56.1 -56.92 1.75 Allowed 'Trans proline' 0 C--O 1.234 0.306 0 C-N-CA 122.547 2.164 . . . . 0.0 111.789 176.581 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1847 ' ' GLU . . . . . 0.62 ' HB3' ' HG2' ' A' 1908 ' ' GLU . 0.0 OUTLIER -73.62 -5.1 38.29 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.096 0.474 . . . . 0.0 110.951 179.243 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A 1848 ' ' GLY . . . . . . . . . . . . . . . -72.62 -14.32 77.78 Favored Glycine 0 N--CA 1.448 -0.547 0 CA-C-N 115.774 -0.648 . . . . 0.0 112.81 -178.535 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1849 ' ' SER . . . . . . . . . . . . . 24.5 t -94.51 -26.29 16.5 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.334 0.588 . . . . 0.0 109.586 175.684 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1850 ' ' PHE . . . . . . . . . . . . . 83.7 t80 -65.37 -21.87 66.73 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.452 -0.795 . . . . 0.0 110.79 -178.634 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1851 ' ' VAL . . . . . . . . . . . . . 23.7 m -57.3 -33.47 43.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.67 -178.609 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1852 ' ' ASP . . . . . . . . . . . . . 27.8 t70 -77.96 -46.57 20.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.539 -0.3 . . . . 0.0 110.488 -179.079 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1853 ' ' TYR . . . . . 0.496 ' CE1' ' HB2' ' A' 1902 ' ' PRO . 68.5 m-85 -64.24 -37.16 86.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.428 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1854 ' ' GLN . . . . . 0.977 ' HG3' ' HB3' ' A' 1968 ' ' LEU . 28.7 tt0 -59.81 -61.08 2.88 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.074 174.775 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1855 ' ' THR . . . . . 0.698 ' O ' ' HG2' ' A' 1859 ' ' ARG . 84.8 m -59.61 -39.05 82.97 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.498 -0.773 . . . . 0.0 111.919 -174.811 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1856 ' ' THR . . . . . 0.489 HG22 ' O ' ' A' 1853 ' ' TYR . 10.8 t -63.5 -47.35 82.06 Favored 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 120.983 -0.287 . . . . 0.0 111.558 -175.397 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1857 ' ' MET . . . . . 0.555 ' HB2' HD12 ' A' 1896 ' ' LEU . 21.1 ptm -82.35 -23.34 35.11 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 121.216 -0.194 . . . . 0.0 111.081 -173.189 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1858 ' ' VAL . . . . . 0.666 ' O ' ' HG3' ' A' 1862 ' ' LYS . 18.5 m -69.87 -32.68 52.67 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.21 0 C-N-CA 119.772 -0.771 . . . . 0.0 109.867 174.164 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1859 ' ' ARG . . . . . 0.698 ' HG2' ' O ' ' A' 1855 ' ' THR . 11.8 mmm180 -60.72 -44.41 96.65 Favored 'General case' 0 CA--C 1.519 -0.228 0 N-CA-C 109.476 -0.564 . . . . 0.0 109.476 175.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1860 ' ' THR . . . . . . . . . . . . . 57.8 m -65.82 -40.95 92.33 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.396 -0.82 . . . . 0.0 110.961 177.379 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1861 ' ' ALA . . . . . 0.427 ' HB1' ' HB ' ' A' 1961 ' ' VAL . . . -61.25 -41.62 97.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.864 0.364 . . . . 0.0 110.891 177.917 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1862 ' ' LYS . . . . . 0.666 ' HG3' ' O ' ' A' 1858 ' ' VAL . 78.9 mttt -68.02 -35.79 78.88 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.04 177.284 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1863 ' ' ALA . . . . . . . . . . . . . . . -64.57 -42.63 95.51 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.297 177.57 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1864 ' ' ILE . . . . . 0.604 ' O ' HG13 ' A' 1868 ' ' VAL . 76.3 mt -61.5 -45.88 97.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.198 174.676 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1865 ' ' ALA . . . . . 0.773 ' HB2' HG21 ' A' 1961 ' ' VAL . . . -58.82 -36.15 74.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.041 -0.527 . . . . 0.0 112.094 -178.22 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1866 ' ' VAL . . . . . 0.403 ' HA ' ' HB3' ' A' 1869 ' ' GLN . 12.9 p -81.27 -29.2 10.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 C-N-CA 120.327 -0.549 . . . . 0.0 110.7 179.212 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1867 ' ' THR . . . . . 0.471 ' O ' ' HG3' ' A' 1871 ' ' MET . 74.9 m -65.09 -46.69 80.06 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.812 0.339 . . . . 0.0 110.729 175.937 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1868 ' ' VAL . . . . . 0.604 HG13 ' O ' ' A' 1864 ' ' ILE . 4.0 m -66.58 -28.67 44.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 121.847 0.832 . . . . 0.0 110.008 178.925 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1869 ' ' GLN . . . . . 0.403 ' HB3' ' HA ' ' A' 1866 ' ' VAL . 27.5 tp60 -75.94 -28.62 58.03 Favored 'General case' 0 N--CA 1.433 -1.278 0 CA-C-N 114.622 -1.172 . . . . 0.0 109.963 179.51 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1870 ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -74.3 -36.12 63.72 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.146 171.049 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1871 ' ' MET . . . . . 0.473 ' HB3' HD21 ' A' 1950 ' ' LEU . 9.7 mtt -55.28 -45.48 76.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.363 -179.586 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1872 ' ' VAL . . . . . 0.432 HG12 ' HA ' ' A' 1951 ' ' ILE . 28.8 m -72.97 -29.11 28.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.78 0.324 . . . . 0.0 111.466 179.809 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1873 ' ' THR . . . . . . . . . . . . . 90.1 m -75.62 -48.48 22.01 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.016 0.436 . . . . 0.0 110.694 179.479 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1874 ' ' LYS . . . . . 0.415 ' HG3' HD11 ' A' 1885 ' ' LEU . 68.8 mmtt -62.64 -41.48 99.06 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.901 -0.59 . . . . 0.0 111.627 -178.792 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1875 ' ' SER . . . . . 0.453 ' HB3' HD11 ' A' 1882 ' ' LEU . 6.1 p -60.96 -6.64 1.94 Allowed 'General case' 0 N--CA 1.465 0.285 0 N-CA-C 113.219 0.822 . . . . 0.0 113.219 -171.91 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1876 ' ' ASN . . . . . . . . . . . . . 56.6 m-80 -69.64 -48.15 60.92 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.725 0.297 . . . . 0.0 110.598 174.57 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1877 ' ' THR . . . . . . . . . . . . . 75.7 p -124.98 -12.13 7.03 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.917 0.389 . . . . 0.0 111.898 -175.366 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1878 ' ' SER . . . . . . . . . . . . . 50.2 m -131.8 99.34 16.88 Favored Pre-proline 0 C--N 1.319 -0.74 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.825 -171.064 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1879 ' ' PRO . . . . . 0.927 ' HA ' HD12 ' A' 1882 ' ' LEU . 28.1 Cg_endo -94.56 -8.19 1.77 Allowed 'Trans proline' 0 N--CA 1.444 -1.393 0 C-N-CA 121.949 1.766 . . . . 0.0 112.631 174.834 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1880 ' ' GLU . . . . . 0.42 ' H ' ' CD ' ' A' 1880 ' ' GLU . 0.0 OUTLIER -92.19 -30.25 16.03 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.924 0.392 . . . . 0.0 109.947 178.428 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A 1881 ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -60.62 -17.65 48.34 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-O 121.448 0.642 . . . . 0.0 110.435 173.506 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1882 ' ' LEU . . . . . 0.927 HD12 ' HA ' ' A' 1879 ' ' PRO . 2.9 mt -78.84 -11.96 60.01 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.297 -0.865 . . . . 0.0 111.532 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1883 ' ' GLY . . . . . . . . . . . . . . . -65.49 -60.9 6.13 Favored Glycine 0 N--CA 1.449 -0.45 0 C-N-CA 120.753 -0.737 . . . . 0.0 111.796 175.898 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1884 ' ' PRO . . . . . . . . . . . . . 13.6 Cg_endo -59.14 -34.74 98.66 Favored 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 122.569 2.179 . . . . 0.0 112.364 174.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1885 ' ' LEU . . . . . 0.415 HD11 ' HG3' ' A' 1874 ' ' LYS . 59.2 mt -65.29 -41.16 94.43 Favored 'General case' 0 C--N 1.331 -0.196 0 N-CA-C 111.603 0.223 . . . . 0.0 111.603 -179.491 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1886 ' ' ALA . . . . . . . . . . . . . . . -65.27 -42.06 93.59 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.776 0.322 . . . . 0.0 110.34 178.449 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1887 ' ' ASN . . . . . . . . . . . . . 24.8 t30 -63.53 -41.7 98.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.331 0.586 . . . . 0.0 109.941 175.379 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1888 ' ' GLN . . . . . . . . . . . . . 46.1 tp60 -57.99 -51.91 67.7 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.102 -0.953 . . . . 0.0 111.175 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1889 ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -59.47 -45.76 90.71 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.011 -0.54 . . . . 0.0 109.585 178.814 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1890 ' ' THR . . . . . . . . . . . . . 90.5 m -58.48 -42.93 88.64 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.529 -0.76 . . . . 0.0 111.467 179.827 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1891 ' ' SER . . . . . . . . . . . . . 35.5 t -66.75 -54.28 24.5 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.971 -0.558 . . . . 0.0 111.31 -176.878 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1892 ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -70.1 -30.0 67.1 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 111.956 0.354 . . . . 0.0 111.956 -174.37 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1893 ' ' TYR . . . . . . . . . . . . . 5.8 t80 -56.48 -42.12 77.73 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.879 -0.328 . . . . 0.0 110.278 174.126 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1894 ' ' GLY . . . . . . . . . . . . . . . -59.24 -37.35 91.7 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.995 -0.622 . . . . 0.0 112.104 179.241 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1895 ' ' ARG . . . . . . . . . . . . . 78.9 ttt180 -70.31 -47.18 62.29 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.875 0.369 . . . . 0.0 110.448 178.707 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1896 ' ' LEU . . . . . 0.555 HD12 ' HB2' ' A' 1857 ' ' MET . 47.6 tp -57.07 -50.51 72.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.773 -0.648 . . . . 0.0 110.902 178.696 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1897 ' ' ALA . . . . . . . . . . . . . . . -65.11 -23.92 67.28 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.282 -179.806 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1898 ' ' SER . . . . . . . . . . . . . 9.2 t -79.76 -40.77 28.01 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.884 -0.413 . . . . 0.0 109.884 -176.81 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1899 ' ' GLN . . . . . . . . . . . . . 25.9 mm-40 -72.91 -8.79 57.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.753 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1900 ' ' ALA . . . . . . . . . . . . . . . -68.16 -21.62 64.89 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.677 175.068 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1901 ' ' LYS . . . . . 0.523 ' HB3' ' HD3' ' A' 1902 ' ' PRO . 54.2 tptt -75.7 -58.62 1.35 Allowed Pre-proline 0 CA--C 1.541 0.598 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.589 179.389 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1902 ' ' PRO . . . . . 0.523 ' HD3' ' HB3' ' A' 1901 ' ' LYS . 56.8 Cg_endo -70.88 -18.33 31.82 Favored 'Trans proline' 0 C--N 1.355 0.912 0 C-N-CA 121.948 1.766 . . . . 0.0 112.913 -178.148 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1903 ' ' ALA . . . . . . . . . . . . . . . -79.52 -34.4 41.2 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.92 0.39 . . . . 0.0 110.811 178.299 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1904 ' ' ALA . . . . . . . . . . . . . . . -70.1 -35.02 73.86 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.191 0.519 . . . . 0.0 110.441 -176.678 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1905 ' ' VAL . . . . . . . . . . . . . 27.5 m -86.98 -0.3 7.0 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 115.498 -0.774 . . . . 0.0 111.028 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1906 ' ' ALA . . . . . . . . . . . . . . . -106.64 -28.39 10.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.658 177.746 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1907 ' ' ALA . . . . . . . . . . . . . . . -67.99 121.36 15.92 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.567 178.613 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1908 ' ' GLU . . . . . 0.62 ' HG2' ' HB3' ' A' 1847 ' ' GLU . 7.1 pt-20 -73.89 -21.76 59.97 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.449 -178.648 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1909 ' ' ASN . . . . . . . . . . . . . 24.4 t-20 -95.16 134.8 37.49 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.488 -178.796 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1910 ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -56.04 -53.8 52.58 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.583 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1911 ' ' GLU . . . . . . . . . . . . . 25.6 mt-10 -64.42 -43.28 94.85 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.515 -173.751 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1912 ' ' ILE . . . . . 0.681 ' O ' HG13 ' A' 1916 ' ' ILE . 69.7 mt -55.45 -53.2 38.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 N-CA-C 110.101 -0.333 . . . . 0.0 110.101 177.004 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1913 ' ' GLY . . . . . 0.452 ' HA2' HD12 ' A' 1916 ' ' ILE . . . -63.89 -34.47 90.02 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 121.072 -0.585 . . . . 0.0 112.721 -178.775 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1914 ' ' ALA . . . . . . . . . . . . . . . -72.69 -47.48 46.89 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 122.737 -0.272 . . . . 0.0 110.754 -178.587 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1915 ' ' HIS . . . . . 0.478 ' O ' ' HG2' ' A' 1919 ' ' ARG . 64.2 m-70 -59.26 -33.2 70.75 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.352 -0.386 . . . . 0.0 111.261 -177.74 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1916 ' ' ILE . . . . . 0.681 HG13 ' O ' ' A' 1912 ' ' ILE . 85.4 mt -51.07 -55.7 6.73 Favored 'Isoleucine or valine' 0 C--O 1.233 0.185 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.018 177.8 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1917 ' ' LYS . . . . . 0.41 ' HB2' ' HE2' ' A' 1917 ' ' LYS . 3.8 mppt? -69.4 -34.58 74.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.173 -178.118 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1918 ' ' HIS . . . . . 0.429 ' O ' ' HB3' ' A' 1921 ' ' GLN . 33.4 m80 -64.91 -43.93 91.22 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 121.096 -0.242 . . . . 0.0 111.531 -178.194 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1919 ' ' ARG . . . . . 0.478 ' HG2' ' O ' ' A' 1915 ' ' HIS . 30.8 mmt180 -70.27 -38.85 75.18 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 120.818 -0.353 . . . . 0.0 111.342 -175.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1920 ' ' VAL . . . . . . . . . . . . . 14.5 m -73.36 -25.25 21.08 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.226 0 CA-C-O 121.197 0.523 . . . . 0.0 110.099 177.83 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1921 ' ' GLN . . . . . 0.429 ' HB3' ' O ' ' A' 1918 ' ' HIS . 33.6 tt0 -64.24 -48.72 74.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.718 -0.673 . . . . 0.0 109.596 173.546 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1922 ' ' GLU . . . . . 0.589 ' CB ' ' HD3' ' A' 1960 ' ' LYS . 47.4 mt-10 -61.87 -46.98 87.07 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.34 -0.845 . . . . 0.0 110.3 176.018 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1923 ' ' LEU . . . . . 0.556 ' HG ' ' HG2' ' A' 1960 ' ' LYS . 18.0 mt -57.74 -36.78 72.53 Favored 'General case' 0 C--O 1.225 -0.203 0 CA-C-N 115.701 -0.682 . . . . 0.0 111.584 -179.395 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1924 ' ' GLY . . . . . . . . . . . . . . . -54.62 -35.67 57.62 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.234 177.766 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1925 ' ' HIS . . . . . . . . . . . . . 21.6 m170 -79.18 -46.54 17.72 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.883 0.373 . . . . 0.0 110.379 178.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1926 ' ' GLY . . . . . . . . . . . . . . . -67.5 -45.27 79.26 Favored Glycine 0 CA--C 1.518 0.26 0 CA-C-N 115.743 -0.662 . . . . 0.0 113.281 -176.276 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1927 ' ' CYS . . . . . . . . . . . . . 83.8 m -63.99 -39.9 95.18 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.733 0.267 . . . . 0.0 110.715 -179.563 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1928 ' ' SER . . . . . . . . . . . . . 47.9 t -64.61 -38.96 92.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.891 0.377 . . . . 0.0 110.166 178.017 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1929 ' ' ALA . . . . . . . . . . . . . . . -64.19 -44.4 92.11 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.435 177.408 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1930 ' ' LEU . . . . . 0.553 ' CD2' ' HG ' ' A' 1950 ' ' LEU . 0.4 OUTLIER -61.08 -54.09 48.97 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.62 -178.99 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A 1931 ' ' VAL . . . . . . . . . . . . . 33.6 m -62.22 -27.65 42.99 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.172 0 N-CA-C 111.586 0.217 . . . . 0.0 111.586 -176.115 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1932 ' ' THR . . . . . . . . . . . . . 81.8 m -68.04 -45.96 72.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.91 0.386 . . . . 0.0 110.159 176.238 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1933 ' ' LYS . . . . . . . . . . . . . 30.8 mmtp -69.97 -34.88 73.95 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.367 179.825 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1934 ' ' ALA . . . . . . . . . . . . . . . -61.84 -43.01 99.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.446 175.401 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1935 ' ' GLY . . . . . . . . . . . . . . . -70.2 -28.48 71.45 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 121.101 -0.571 . . . . 0.0 112.252 178.663 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1936 ' ' ALA . . . . . . . . . . . . . . . -73.36 -44.57 58.41 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.648 0.261 . . . . 0.0 110.806 179.784 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1937 ' ' LEU . . . . . 0.414 ' HB2' HG22 ' A' 1946 ' ' THR . 20.9 tp -68.59 -29.28 67.77 Favored 'General case' 0 CA--C 1.514 -0.412 0 CA-C-O 121.602 0.715 . . . . 0.0 109.416 177.173 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1938 ' ' GLN . . . . . . . . . . . . . 47.4 tt0 -61.13 -29.05 69.54 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 114.626 -1.17 . . . . 0.0 109.996 176.409 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1939 ' ' CYS . . . . . . . . . . . . . 58.6 m -86.42 -45.91 10.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.679 176.283 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1940 ' ' SER . . . . . . . . . . . . . 75.0 m -123.89 90.66 50.46 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.508 -0.315 . . . . 0.0 111.629 -178.752 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1941 ' ' PRO . . . . . 0.52 ' HB3' ' HG3' ' A' 1879 ' ' PRO . 59.4 Cg_endo -74.61 -14.3 22.16 Favored 'Trans proline' 0 C--N 1.342 0.229 0 C-N-CA 122.52 2.147 . . . . 0.0 112.695 179.39 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1942 ' ' SER . . . . . . . . . . . . . 22.6 t -81.78 -12.19 58.66 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.725 -178.194 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1943 ' ' ASP . . . . . . . . . . . . . 19.1 t70 -89.49 116.31 27.56 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 110.03 -0.359 . . . . 0.0 110.03 -179.436 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1944 ' ' VAL . . . . . . . . . . . . . 10.9 p -75.82 -35.03 29.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.462 -175.936 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1945 ' ' TYR . . . . . . . . . . . . . 59.6 m-85 -65.01 -40.42 94.87 Favored 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 111.489 0.181 . . . . 0.0 111.489 -175.859 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1946 ' ' THR . . . . . 0.414 HG22 ' HB2' ' A' 1937 ' ' LEU . 63.6 m -56.44 -41.8 77.04 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.244 0.545 . . . . 0.0 110.415 175.454 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1947 ' ' LYS . . . . . 0.414 ' HB3' ' HE2' ' A' 1947 ' ' LYS . 26.2 ttpt -71.69 -40.99 69.18 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.284 179.664 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1948 ' ' LYS . . . . . 0.494 ' O ' ' HG2' ' A' 1952 ' ' GLU . 9.0 mmpt? -54.05 -46.81 72.02 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.06 178.204 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1949 ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 -51.26 -49.65 60.76 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.431 -0.804 . . . . 0.0 110.997 177.507 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1950 ' ' LEU . . . . . 0.553 ' HG ' ' CD2' ' A' 1930 ' ' LEU . 8.9 tt -61.33 -45.37 94.69 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.682 -179.253 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1951 ' ' ILE . . . . . 0.432 ' HA ' HG12 ' A' 1872 ' ' VAL . 1.7 mp -59.99 -45.56 95.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.851 179.386 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1952 ' ' GLU . . . . . 0.494 ' HG2' ' O ' ' A' 1948 ' ' LYS . 61.9 mm-40 -65.13 -33.21 75.48 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.067 0.461 . . . . 0.0 110.525 179.294 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1953 ' ' CYS . . . . . . . . . . . . . 66.4 m -75.7 -46.28 32.05 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.902 -0.59 . . . . 0.0 112.245 -177.115 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1954 ' ' ALA . . . . . . . . . . . . . . . -59.73 -44.83 93.6 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 112.1 0.407 . . . . 0.0 112.1 -174.604 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1955 ' ' ARG . . . . . . . . . . . . . 5.6 ptp180 -61.68 -31.6 71.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.898 0.38 . . . . 0.0 110.823 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1956 ' ' ARG . . . . . . . . . . . . . 42.4 mtp180 -78.04 -43.73 28.51 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.062 -177.378 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1957 ' ' VAL . . . . . 0.559 ' O ' HG13 ' A' 1961 ' ' VAL . 11.1 m -70.23 -30.25 42.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 C-N-CA 120.334 -0.546 . . . . 0.0 110.504 -179.145 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1958 ' ' SER . . . . . . . . . . . . . 46.2 t -64.71 -24.7 67.65 Favored 'General case' 0 CA--C 1.53 0.19 0 CA-C-O 121.014 0.435 . . . . 0.0 109.971 175.211 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1959 ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -81.26 -41.2 22.56 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.225 0.536 . . . . 0.0 110.273 172.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1960 ' ' LYS . . . . . 0.589 ' HD3' ' CB ' ' A' 1922 ' ' GLU . 18.7 ttmm -65.42 -34.78 79.09 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.574 -178.052 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1961 ' ' VAL . . . . . 0.773 HG21 ' HB2' ' A' 1865 ' ' ALA . 20.8 m -68.67 -33.58 60.45 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.114 0 CA-C-O 121.173 0.511 . . . . 0.0 110.027 173.676 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1962 ' ' SER . . . . . 0.589 ' HA ' HD12 ' A' 1965 ' ' LEU . 36.8 t -67.62 -24.2 65.45 Favored 'General case' 0 N--CA 1.451 -0.382 0 CA-C-N 115.666 -0.697 . . . . 0.0 109.93 178.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1963 ' ' HIS . . . . . . . . . . . . . 59.4 m170 -75.53 -24.62 56.77 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.32 179.626 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1964 ' ' VAL . . . . . 0.489 HG11 HD11 ' A' 1896 ' ' LEU . 85.3 t -70.12 -43.89 78.59 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.258 0 N-CA-C 108.671 -0.863 . . . . 0.0 108.671 169.519 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1965 ' ' LEU . . . . . 0.589 HD12 ' HA ' ' A' 1962 ' ' SER . 26.5 mt -57.62 -48.04 80.52 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.137 -0.938 . . . . 0.0 110.201 177.656 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1966 ' ' ALA . . . . . . . . . . . . . . . -68.89 -45.1 71.8 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.577 -0.738 . . . . 0.0 112.088 -177.214 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1967 ' ' ALA . . . . . . . . . . . . . . . -57.88 -47.59 82.33 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-O 121.189 0.519 . . . . 0.0 110.933 -179.571 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1968 ' ' LEU . . . . . 0.977 ' HB3' ' HG3' ' A' 1854 ' ' GLN . 5.2 mp -64.02 -45.23 89.85 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.356 -0.838 . . . . 0.0 111.407 -179.469 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1969 ' ' GLN . . . . . . . . . . . . . 48.6 mt-30 -83.74 20.22 1.5 Allowed 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.649 -175.207 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1970 ' ' ALA . . . . . 0.508 ' HB3' HG12 ' A' 1912 ' ' ILE . . . -69.66 -21.45 63.53 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.927 0.394 . . . . 0.0 110.508 175.832 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1971 ' ' GLY . . . . . . . . . . . . . . . -75.23 -23.06 75.0 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.809 -0.71 . . . . 0.0 111.404 175.093 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1972 ' ' ASN . . . . . . . . . . . . . 62.8 t30 63.84 76.73 0.34 Allowed 'General case' 0 C--O 1.233 0.224 0 C-N-CA 123.338 0.655 . . . . 0.0 111.621 178.14 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1973 ' ' ARG . . . . . . . . . . . . . 14.7 ptm180 . . . . . 0 C--O 1.249 1.028 0 CA-C-O 118.32 -0.848 . . . . 0.0 110.079 174.822 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A 1837 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.634 0 N-CA-C 112.157 -0.377 . . . . 0.0 112.157 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A 1838 ' ' ILE . . . . . . . . . . . . . 6.3 tp -153.86 136.78 7.26 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-O 120.82 0.343 . . . . 0.0 110.228 179.375 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1839 ' ' ASP . . . . . 0.463 ' HB3' ' HD2' ' A' 1840 ' ' PRO . 10.6 m-20 -64.49 159.79 57.02 Favored Pre-proline 0 C--N 1.326 -0.419 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.407 177.579 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1840 ' ' PRO . . . . . 0.463 ' HD2' ' HB3' ' A' 1839 ' ' ASP . 60.6 Cg_endo -75.16 27.21 0.37 Allowed 'Trans proline' 0 CA--C 1.53 0.291 0 C-N-CA 122.833 2.356 . . . . 0.0 112.62 -179.9 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1841 ' ' PHE . . . . . . . . . . . . . 91.7 m-85 -121.6 17.89 11.21 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.0 178.51 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1842 ' ' THR . . . . . . . . . . . . . 30.7 p 64.33 172.75 0.19 Allowed 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 124.209 1.004 . . . . 0.0 112.703 176.488 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1843 ' ' MET . . . . . . . . . . . . . 51.6 ttm -119.22 99.9 6.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.199 -175.106 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1844 ' ' GLY . . . . . . . . . . . . . . . 63.18 41.97 99.53 Favored Glycine 0 N--CA 1.454 -0.153 0 C-N-CA 121.206 -0.521 . . . . 0.0 112.735 176.691 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1845 ' ' ASP . . . . . . . . . . . . . 34.5 t70 -81.65 121.41 79.62 Favored Pre-proline 0 C--N 1.321 -0.641 0 CA-C-O 121.037 0.446 . . . . 0.0 109.944 -178.142 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1846 ' ' PRO . . . . . . . . . . . . . 11.5 Cg_endo -55.35 -60.52 0.53 Allowed 'Trans proline' 0 CA--C 1.529 0.261 0 C-N-CA 123.855 3.036 . . . . 0.0 114.261 -168.546 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1847 ' ' GLU . . . . . 0.449 ' CD ' ' H ' ' A' 1847 ' ' GLU . 0.0 OUTLIER -102.29 -4.94 24.85 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 120.846 0.355 . . . . 0.0 111.395 -173.058 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A 1848 ' ' GLY . . . . . . . . . . . . . . . -68.54 -21.21 74.41 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.991 -0.623 . . . . 0.0 113.213 -178.608 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1849 ' ' SER . . . . . . . . . . . . . 32.1 m -91.75 -17.25 25.67 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.039 0.447 . . . . 0.0 110.952 179.441 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1850 ' ' PHE . . . . . . . . . . . . . 91.2 t80 -62.8 -23.19 67.12 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.364 -179.237 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1851 ' ' VAL . . . . . . . . . . . . . 15.1 m -59.81 -30.75 45.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.519 -0.764 . . . . 0.0 111.79 -178.462 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1852 ' ' ASP . . . . . . . . . . . . . 25.5 t70 -80.05 -41.95 24.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.925 0.393 . . . . 0.0 110.333 -177.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1853 ' ' TYR . . . . . 0.489 ' O ' HG22 ' A' 1856 ' ' THR . 47.8 m-85 -67.34 -29.81 69.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.31 0.576 . . . . 0.0 109.964 178.083 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1854 ' ' GLN . . . . . 0.926 ' HG3' ' HB3' ' A' 1968 ' ' LEU . 31.8 tt0 -62.21 -59.89 4.38 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.454 -0.794 . . . . 0.0 110.129 172.824 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1855 ' ' THR . . . . . 0.486 ' O ' ' HG2' ' A' 1859 ' ' ARG . 25.1 m -60.71 -32.85 72.08 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.479 -0.782 . . . . 0.0 112.607 -173.494 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1856 ' ' THR . . . . . 0.489 HG22 ' O ' ' A' 1853 ' ' TYR . 11.8 t -65.91 -50.35 64.77 Favored 'General case' 0 CA--C 1.538 0.506 0 N-CA-C 112.216 0.451 . . . . 0.0 112.216 -174.162 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1857 ' ' MET . . . . . 0.756 ' SD ' HD21 ' A' 1968 ' ' LEU . 7.0 ptp -82.89 -25.13 32.78 Favored 'General case' 0 C--N 1.328 -0.334 0 O-C-N 121.961 -0.462 . . . . 0.0 112.149 -173.694 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1858 ' ' VAL . . . . . 0.537 HG13 ' O ' ' A' 1854 ' ' GLN . 28.2 m -64.96 -29.77 48.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 C-N-CA 120.195 -0.602 . . . . 0.0 110.011 178.923 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1859 ' ' ARG . . . . . 0.486 ' HG2' ' O ' ' A' 1855 ' ' THR . 41.2 mmm-85 -63.12 -47.11 84.18 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.248 0.547 . . . . 0.0 109.622 174.163 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1860 ' ' THR . . . . . 0.424 ' O ' HG13 ' A' 1864 ' ' ILE . 89.6 m -60.76 -43.75 97.61 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-N 115.272 -0.876 . . . . 0.0 111.208 177.643 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1861 ' ' ALA . . . . . . . . . . . . . . . -57.86 -43.18 85.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.87 0.367 . . . . 0.0 110.965 179.406 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1862 ' ' LYS . . . . . 0.448 ' HG3' ' O ' ' A' 1858 ' ' VAL . 57.6 mttm -63.88 -42.22 97.54 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.288 177.13 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1863 ' ' ALA . . . . . . . . . . . . . . . -65.23 -41.97 93.85 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.723 -0.671 . . . . 0.0 111.029 179.26 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1864 ' ' ILE . . . . . 0.424 HG13 ' O ' ' A' 1860 ' ' THR . 68.9 mt -61.42 -44.15 98.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 N-CA-C 110.123 -0.325 . . . . 0.0 110.123 177.192 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1865 ' ' ALA . . . . . 0.753 ' HB2' HG21 ' A' 1961 ' ' VAL . . . -57.51 -45.22 85.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.813 -179.822 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1866 ' ' VAL . . . . . 0.401 ' O ' ' HG2' ' A' 1869 ' ' GLN . 13.0 p -73.37 -32.49 37.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 C-N-CA 120.487 -0.485 . . . . 0.0 110.467 -179.532 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1867 ' ' THR . . . . . . . . . . . . . 84.5 m -68.52 -46.56 69.26 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.741 0.305 . . . . 0.0 110.727 178.495 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1868 ' ' VAL . . . . . 0.436 ' O ' HG13 ' A' 1872 ' ' VAL . 32.6 m -67.17 -35.26 73.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.475 -0.329 . . . . 0.0 110.723 -179.78 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1869 ' ' GLN . . . . . 0.524 ' O ' HG22 ' A' 1872 ' ' VAL . 1.8 pt20 -73.89 -30.08 62.42 Favored 'General case' 0 N--CA 1.452 -0.349 0 C-N-CA 120.473 -0.491 . . . . 0.0 109.737 179.045 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1870 ' ' GLU . . . . . 0.557 ' O ' ' HG2' ' A' 1874 ' ' LYS . 27.0 mt-10 -62.68 -41.55 99.16 Favored 'General case' 0 C--O 1.219 -0.546 0 N-CA-C 109.778 -0.452 . . . . 0.0 109.778 172.151 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1871 ' ' MET . . . . . 0.48 ' HB3' HD21 ' A' 1950 ' ' LEU . 7.6 mtt -55.11 -44.47 75.01 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.076 178.856 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1872 ' ' VAL . . . . . 0.987 ' HB ' HG13 ' A' 1951 ' ' ILE . 1.3 m -75.06 -29.12 21.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 121.294 0.569 . . . . 0.0 110.789 -179.369 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1873 ' ' THR . . . . . . . . . . . . . 91.7 m -79.07 -44.46 22.09 Favored 'General case' 0 N--CA 1.441 -0.924 0 CA-C-N 115.508 -0.769 . . . . 0.0 111.207 -177.706 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1874 ' ' LYS . . . . . 0.557 ' HG2' ' O ' ' A' 1870 ' ' GLU . 31.5 mmtp -67.24 -40.25 86.29 Favored 'General case' 0 C--O 1.219 -0.506 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.613 -178.912 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1875 ' ' SER . . . . . 0.539 ' HB3' HD11 ' A' 1882 ' ' LEU . 6.1 p -58.0 -14.86 7.29 Favored 'General case' 0 N--CA 1.466 0.326 0 N-CA-C 113.168 0.803 . . . . 0.0 113.168 -172.439 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1876 ' ' ASN . . . . . . . . . . . . . 62.4 m-80 -63.87 -42.88 97.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.81 0.338 . . . . 0.0 110.494 176.149 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1877 ' ' THR . . . . . . . . . . . . . 27.4 p -122.83 -30.15 3.87 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.133 0.492 . . . . 0.0 112.088 -177.023 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1878 ' ' SER . . . . . . . . . . . . . 75.4 m -120.7 103.18 43.88 Favored Pre-proline 0 C--N 1.32 -0.706 0 CA-C-N 115.708 -0.678 . . . . 0.0 112.093 -169.122 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1879 ' ' PRO . . . . . 1.051 ' HA ' HD12 ' A' 1882 ' ' LEU . 21.9 Cg_endo -92.66 -7.72 2.73 Favored 'Trans proline' 0 N--CA 1.445 -1.382 0 C-N-CA 121.862 1.708 . . . . 0.0 111.182 171.521 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1880 ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 -72.36 -42.67 65.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.188 -0.915 . . . . 0.0 110.266 178.063 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1881 ' ' GLU . . . . . . . . . . . . . 54.3 mm-40 -63.57 -14.59 52.89 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.391 -0.822 . . . . 0.0 111.387 -179.486 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1882 ' ' LEU . . . . . 1.051 HD12 ' HA ' ' A' 1879 ' ' PRO . 3.1 mt -80.85 -9.01 59.86 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.711 -0.677 . . . . 0.0 112.33 -171.477 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1883 ' ' GLY . . . . . . . . . . . . . . . -76.09 -60.24 3.16 Favored Glycine 0 N--CA 1.448 -0.524 0 C-N-CA 120.52 -0.847 . . . . 0.0 111.434 175.06 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1884 ' ' PRO . . . . . . . . . . . . . 45.0 Cg_exo -57.32 -40.92 78.22 Favored 'Trans proline' 0 C--N 1.349 0.571 0 C-N-CA 122.759 2.306 . . . . 0.0 112.36 176.078 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1885 ' ' LEU . . . . . . . . . . . . . 56.5 mt -60.43 -37.79 82.04 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-O 120.592 0.234 . . . . 0.0 111.396 -179.465 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1886 ' ' ALA . . . . . . . . . . . . . . . -63.48 -50.32 70.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.973 0.416 . . . . 0.0 110.52 178.7 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1887 ' ' ASN . . . . . . . . . . . . . 56.8 t30 -63.17 -40.43 97.51 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.374 178.713 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1888 ' ' GLN . . . . . . . . . . . . . 28.6 tp60 -61.14 -48.63 80.72 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.277 -179.518 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1889 ' ' LEU . . . . . 0.436 HD11 HG12 ' A' 1868 ' ' VAL . 0.9 OUTLIER -55.81 -48.03 76.12 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 108.878 -0.786 . . . . 0.0 108.878 177.288 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A 1890 ' ' THR . . . . . . . . . . . . . 24.8 m -58.97 -42.22 89.4 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 114.814 -1.085 . . . . 0.0 111.293 -179.318 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1891 ' ' SER . . . . . . . . . . . . . 62.6 m -63.72 -49.18 74.09 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.786 -178.447 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1892 ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -68.56 -33.9 74.9 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 121.001 -0.28 . . . . 0.0 111.23 -177.804 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1893 ' ' TYR . . . . . . . . . . . . . 47.5 t80 -58.91 -33.99 71.18 Favored 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 121.065 -0.254 . . . . 0.0 110.641 177.538 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1894 ' ' GLY . . . . . . . . . . . . . . . -55.84 -38.89 75.69 Favored Glycine 0 C--N 1.332 0.309 0 C-N-CA 120.983 -0.627 . . . . 0.0 111.883 176.648 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1895 ' ' ARG . . . . . 0.477 ' O ' ' HG2' ' A' 1899 ' ' GLN . 75.2 mtp180 -66.93 -53.51 31.19 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.046 0.45 . . . . 0.0 110.053 176.571 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1896 ' ' LEU . . . . . 0.499 HD12 ' HB2' ' A' 1857 ' ' MET . 63.7 tp -52.56 -49.55 64.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.231 -0.895 . . . . 0.0 111.542 -177.907 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1897 ' ' ALA . . . . . . . . . . . . . . . -65.94 -29.82 70.29 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.647 -177.028 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1898 ' ' SER . . . . . . . . . . . . . 42.1 m -81.02 -32.5 34.14 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.759 0.314 . . . . 0.0 110.756 -176.246 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1899 ' ' GLN . . . . . 0.477 ' HG2' ' O ' ' A' 1895 ' ' ARG . 83.5 mm-40 -78.66 -10.4 59.74 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.62 -178.87 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1900 ' ' ALA . . . . . . . . . . . . . . . -70.66 -26.94 63.67 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.764 178.701 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1901 ' ' LYS . . . . . 0.433 ' HB3' ' HD3' ' A' 1902 ' ' PRO . 86.9 tttt -71.3 -57.74 4.38 Favored Pre-proline 0 CA--C 1.538 0.498 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.427 -179.37 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1902 ' ' PRO . . . . . 0.612 ' HA ' HG22 ' A' 1905 ' ' VAL . 36.6 Cg_endo -65.67 -22.47 57.59 Favored 'Trans proline' 0 C--N 1.356 0.957 0 C-N-CA 121.984 1.789 . . . . 0.0 112.485 -179.747 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1903 ' ' ALA . . . . . . . . . . . . . . . -73.56 -31.41 63.62 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.91 0.386 . . . . 0.0 110.441 177.035 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1904 ' ' ALA . . . . . . . . . . . . . . . -77.5 -34.1 54.26 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.608 -178.709 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1905 ' ' VAL . . . . . 0.612 HG22 ' HA ' ' A' 1902 ' ' PRO . 22.3 m -80.54 -12.1 12.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.039 -179.636 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1906 ' ' ALA . . . . . . . . . . . . . . . -106.27 6.0 30.28 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.039 0.447 . . . . 0.0 110.281 176.204 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1907 ' ' ALA . . . . . . . . . . . . . . . -81.91 131.72 35.26 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.885 -179.385 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1908 ' ' GLU . . . . . . . . . . . . . 35.9 mm-40 -80.35 -30.94 38.03 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.96 -178.935 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1909 ' ' ASN . . . . . 0.699 ' HB2' HG13 ' A' 1912 ' ' ILE . 12.7 m120 -112.71 156.15 23.28 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.53 -0.305 . . . . 0.0 110.863 -176.764 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1910 ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -50.49 -53.33 30.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.334 -0.848 . . . . 0.0 110.917 178.085 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1911 ' ' GLU . . . . . 0.496 ' HB3' ' CD2' ' A' 1915 ' ' HIS . 1.3 mm-40 -75.39 -29.0 59.68 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 114.516 -1.22 . . . . 0.0 113.009 -170.419 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1912 ' ' ILE . . . . . 0.699 HG13 ' HB2' ' A' 1909 ' ' ASN . 58.0 mt -55.05 -53.39 34.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 C-N-CA 120.665 -0.414 . . . . 0.0 110.122 -179.563 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1913 ' ' GLY . . . . . . . . . . . . . . . -71.53 -33.37 63.94 Favored Glycine 0 N--CA 1.447 -0.602 0 C-N-CA 120.612 -0.804 . . . . 0.0 112.125 179.053 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1914 ' ' ALA . . . . . . . . . . . . . . . -69.03 -44.49 72.61 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.525 0.202 . . . . 0.0 110.79 -176.369 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1915 ' ' HIS . . . . . 0.523 ' O ' ' HG2' ' A' 1919 ' ' ARG . 63.4 m-70 -59.73 -45.4 92.29 Favored 'General case' 0 CA--C 1.519 -0.232 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.726 -179.406 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1916 ' ' ILE . . . . . 0.456 HG13 ' O ' ' A' 1912 ' ' ILE . 82.5 mt -54.08 -58.99 2.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.608 178.213 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1917 ' ' LYS . . . . . 0.516 ' O ' ' HG2' ' A' 1921 ' ' GLN . 21.5 mtpp -60.78 -33.39 72.89 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.353 -0.84 . . . . 0.0 111.641 -177.78 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1918 ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -71.58 -43.92 65.41 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.341 -178.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1919 ' ' ARG . . . . . 0.523 ' HG2' ' O ' ' A' 1915 ' ' HIS . 0.8 OUTLIER -73.56 -35.88 65.53 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.567 -0.288 . . . . 0.0 111.288 -176.279 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A 1920 ' ' VAL . . . . . . . . . . . . . 31.4 m -68.23 -29.71 45.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.799 0.333 . . . . 0.0 110.464 177.518 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1921 ' ' GLN . . . . . 0.516 ' HG2' ' O ' ' A' 1917 ' ' LYS . 73.2 mm-40 -67.84 -41.66 82.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.871 0.367 . . . . 0.0 110.346 175.771 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1922 ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -67.69 -37.54 82.44 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.555 177.412 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1923 ' ' LEU . . . . . . . . . . . . . 33.0 mt -64.74 -31.1 72.17 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.523 174.204 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1924 ' ' GLY . . . . . . . . . . . . . . . -64.38 -45.35 93.57 Favored Glycine 0 N--CA 1.449 -0.485 0 C-N-CA 120.987 -0.625 . . . . 0.0 111.648 174.704 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1925 ' ' HIS . . . . . . . . . . . . . 29.2 m170 -64.17 -39.83 94.83 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.128 0.489 . . . . 0.0 109.846 176.436 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1926 ' ' GLY . . . . . . . . . . . . . . . -66.35 -52.55 34.86 Favored Glycine 0 N--CA 1.447 -0.583 0 CA-C-N 115.332 -0.849 . . . . 0.0 113.24 -178.822 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1927 ' ' CYS . . . . . . . . . . . . . 22.6 p -62.45 -40.25 96.01 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 117.127 0.463 . . . . 0.0 111.053 -177.221 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1928 ' ' SER . . . . . . . . . . . . . 37.5 t -58.87 -44.07 90.99 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-O 120.779 0.323 . . . . 0.0 110.684 178.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1929 ' ' ALA . . . . . . . . . . . . . . . -70.51 -40.77 73.33 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.879 0.371 . . . . 0.0 110.439 178.066 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1930 ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -61.73 -53.55 54.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.986 -178.305 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1931 ' ' VAL . . . . . . . . . . . . . 30.0 m -63.16 -29.5 47.39 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.171 0 CA-C-O 120.679 0.276 . . . . 0.0 111.017 -176.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1932 ' ' THR . . . . . . . . . . . . . 87.0 m -68.54 -44.99 73.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.444 176.484 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1933 ' ' LYS . . . . . . . . . . . . . 73.1 mmtt -67.77 -34.36 76.64 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.462 177.92 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1934 ' ' ALA . . . . . 0.486 ' HA ' HD12 ' A' 1950 ' ' LEU . . . -59.83 -48.92 79.74 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.343 175.934 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1935 ' ' GLY . . . . . . . . . . . . . . . -68.0 -41.15 88.21 Favored Glycine 0 N--CA 1.449 -0.494 0 C-N-CA 120.999 -0.619 . . . . 0.0 112.027 177.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1936 ' ' ALA . . . . . . . . . . . . . . . -61.62 -41.23 97.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.574 0.226 . . . . 0.0 111.287 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1937 ' ' LEU . . . . . 0.487 ' HB2' HG22 ' A' 1946 ' ' THR . 34.2 tp -70.6 -34.9 72.67 Favored 'General case' 0 CA--C 1.511 -0.539 0 CA-C-O 121.035 0.445 . . . . 0.0 110.211 177.585 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1938 ' ' GLN . . . . . . . . . . . . . 37.5 tt0 -65.21 -26.89 68.33 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.159 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1939 ' ' CYS . . . . . . . . . . . . . 76.1 m -78.5 -13.81 59.66 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.376 176.472 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1940 ' ' SER . . . . . . . . . . . . . 69.3 m -159.27 84.5 2.32 Favored Pre-proline 0 N--CA 1.465 0.312 0 CA-C-O 120.723 0.297 . . . . 0.0 110.737 -179.29 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1941 ' ' PRO . . . . . 0.633 ' HB3' ' HG3' ' A' 1879 ' ' PRO . 55.7 Cg_endo -71.09 -18.97 30.46 Favored 'Trans proline' 0 C--N 1.343 0.265 0 C-N-CA 122.753 2.302 . . . . 0.0 113.319 -174.3 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1942 ' ' SER . . . . . . . . . . . . . 4.0 p -79.92 -23.59 41.65 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.755 -177.041 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1943 ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -77.06 111.12 12.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.117 0.484 . . . . 0.0 110.548 -179.12 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1944 ' ' VAL . . . . . 0.454 ' O ' ' HG3' ' A' 1948 ' ' LYS . 14.6 p -71.05 -32.6 48.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.508 -175.406 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1945 ' ' TYR . . . . . . . . . . . . . 97.8 m-85 -60.87 -48.02 83.74 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.505 -0.316 . . . . 0.0 111.545 -174.826 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1946 ' ' THR . . . . . 0.487 HG22 ' HB2' ' A' 1937 ' ' LEU . 95.9 m -59.89 -37.44 79.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.078 0.466 . . . . 0.0 110.662 177.51 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1947 ' ' LYS . . . . . . . . . . . . . 31.6 ttpt -61.52 -48.31 81.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.588 -179.67 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1948 ' ' LYS . . . . . 0.454 ' HG3' ' O ' ' A' 1944 ' ' VAL . 13.4 mtpt -63.62 -37.88 89.01 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.115 -173.226 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1949 ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -63.47 -31.96 73.26 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.022 0.439 . . . . 0.0 110.527 178.665 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1950 ' ' LEU . . . . . 0.592 HD11 HD22 ' A' 1882 ' ' LEU . 8.6 tt -66.11 -52.08 51.96 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.776 -0.647 . . . . 0.0 109.628 176.935 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1951 ' ' ILE . . . . . 0.987 HG13 ' HB ' ' A' 1872 ' ' VAL . 1.9 mp -57.97 -45.6 87.86 Favored 'Isoleucine or valine' 0 C--O 1.235 0.324 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.085 177.244 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1952 ' ' GLU . . . . . 0.485 ' O ' ' HG3' ' A' 1956 ' ' ARG . 51.9 mm-40 -59.47 -36.86 76.78 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.719 -0.673 . . . . 0.0 112.135 -179.162 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1953 ' ' CYS . . . . . 0.423 ' O ' HG13 ' A' 1957 ' ' VAL . 39.6 t -75.69 -46.28 32.11 Favored 'General case' 0 C--N 1.319 -0.745 0 C-N-CA 120.715 -0.394 . . . . 0.0 110.791 -178.295 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1954 ' ' ALA . . . . . 0.477 ' HB3' ' CG1' ' A' 1872 ' ' VAL . . . -62.64 -40.94 98.59 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 111.967 0.358 . . . . 0.0 111.967 -175.926 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1955 ' ' ARG . . . . . . . . . . . . . 5.7 ptm180 -63.31 -29.7 70.97 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.101 0.476 . . . . 0.0 110.72 179.203 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1956 ' ' ARG . . . . . 0.485 ' HG3' ' O ' ' A' 1952 ' ' GLU . 54.4 mtt-85 -82.1 -35.06 28.99 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.114 -177.632 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1957 ' ' VAL . . . . . 0.518 ' O ' HG13 ' A' 1961 ' ' VAL . 8.6 m -80.26 -28.94 12.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 C-N-CA 120.899 -0.32 . . . . 0.0 111.146 -179.462 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1958 ' ' SER . . . . . 0.62 ' O ' HG22 ' A' 1961 ' ' VAL . 12.4 p -65.72 -24.32 66.95 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 121.188 0.518 . . . . 0.0 110.337 178.141 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1959 ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -74.21 -39.68 62.95 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.058 171.455 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1960 ' ' LYS . . . . . 0.439 ' HG3' ' O ' ' A' 1956 ' ' ARG . 65.4 mttm -65.39 -31.92 73.28 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.266 -177.262 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1961 ' ' VAL . . . . . 0.753 HG21 ' HB2' ' A' 1865 ' ' ALA . 3.7 m -64.08 -35.25 73.06 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.221 0 CA-C-O 121.034 0.445 . . . . 0.0 109.835 178.081 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1962 ' ' SER . . . . . 0.663 ' HA ' HD12 ' A' 1965 ' ' LEU . 20.1 m -73.16 -24.55 60.59 Favored 'General case' 0 N--CA 1.442 -0.851 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.478 176.923 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1963 ' ' HIS . . . . . 0.407 ' ND1' ' HA ' ' A' 1960 ' ' LYS . 39.9 m170 -73.77 -28.9 61.9 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.412 -0.588 . . . . 0.0 109.412 177.203 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1964 ' ' VAL . . . . . 0.495 ' O ' HD23 ' A' 1968 ' ' LEU . 84.5 t -65.95 -49.14 78.91 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.207 0 N-CA-C 108.827 -0.805 . . . . 0.0 108.827 169.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1965 ' ' LEU . . . . . 0.663 HD12 ' HA ' ' A' 1962 ' ' SER . 57.0 mt -51.0 -47.18 61.64 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.627 177.645 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1966 ' ' ALA . . . . . . . . . . . . . . . -63.14 -36.05 82.31 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.953 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1967 ' ' ALA . . . . . . . . . . . . . . . -67.39 -44.78 78.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.831 0.348 . . . . 0.0 111.125 -179.283 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1968 ' ' LEU . . . . . 0.926 ' HB3' ' HG3' ' A' 1854 ' ' GLN . 4.0 mm? -70.98 -29.15 65.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.902 -179.169 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1969 ' ' GLN . . . . . . . . . . . . . 71.5 mt-30 -85.84 -0.43 55.32 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.256 -179.546 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1970 ' ' ALA . . . . . . . . . . . . . . . -79.67 110.55 15.11 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.851 0.358 . . . . 0.0 110.127 178.16 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1971 ' ' GLY . . . . . . . . . . . . . . . -133.22 150.87 19.91 Favored Glycine 0 N--CA 1.445 -0.736 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.187 -178.545 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1972 ' ' ASN . . . . . . . . . . . . . 23.1 p-10 -112.23 1.13 16.03 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.568 0.223 . . . . 0.0 111.082 -179.051 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1973 ' ' ARG . . . . . . . . . . . . . 77.5 ttt180 . . . . . 0 C--O 1.249 1.028 0 CA-C-O 118.416 -0.802 . . . . 0.0 110.214 -176.822 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A 1837 ' ' GLY . . . . . 0.485 ' O ' ' HB ' ' A' 1838 ' ' ILE . . . . . . . . 0 N--CA 1.482 1.734 0 N-CA-C 111.193 -0.763 . . . . 0.0 111.193 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1838 ' ' ILE . . . . . 0.485 ' HB ' ' O ' ' A' 1837 ' ' GLY . 2.7 mp 72.28 -58.73 0.28 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.294 0 N-CA-C 109.495 -0.558 . . . . 0.0 109.495 -170.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1839 ' ' ASP . . . . . 0.502 ' HA ' ' HD3' ' A' 1840 ' ' PRO . 2.7 m-20 68.0 125.14 0.03 OUTLIER Pre-proline 0 N--CA 1.465 0.318 0 O-C-N 124.199 0.937 . . . . 0.0 112.358 173.433 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1840 ' ' PRO . . . . . 0.502 ' HD3' ' HA ' ' A' 1839 ' ' ASP . 7.6 Cg_exo -74.07 -3.61 14.07 Favored 'Trans proline' 0 C--O 1.234 0.289 0 C-N-CA 123.403 2.735 . . . . 0.0 112.408 179.626 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1841 ' ' PHE . . . . . . . . . . . . . 82.8 m-85 -84.79 70.6 10.85 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.478 -178.622 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1842 ' ' THR . . . . . 0.552 ' HB ' ' SD ' ' A' 1843 ' ' MET . 12.2 p -141.64 -75.23 0.3 Allowed 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.151 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1843 ' ' MET . . . . . 0.552 ' SD ' ' HB ' ' A' 1842 ' ' THR . 3.6 mpp? -118.72 -41.22 2.81 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.893 0.377 . . . . 0.0 110.931 -179.615 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1844 ' ' GLY . . . . . . . . . . . . . . . 107.65 29.03 4.57 Favored Glycine 0 N--CA 1.448 -0.553 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.197 -178.638 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1845 ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -70.31 125.68 92.08 Favored Pre-proline 0 C--N 1.327 -0.371 0 CA-C-O 120.801 0.334 . . . . 0.0 111.067 179.633 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1846 ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -75.01 -19.29 17.97 Favored 'Trans proline' 0 N--CA 1.461 -0.416 0 C-N-CA 122.618 2.212 . . . . 0.0 111.685 177.537 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1847 ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -111.46 127.8 55.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.202 177.442 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1848 ' ' GLY . . . . . . . . . . . . . . . -167.51 156.69 28.6 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.954 -0.641 . . . . 0.0 111.817 -178.088 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1849 ' ' SER . . . . . . . . . . . . . 13.5 t 71.22 -51.17 0.69 Allowed 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 123.367 0.667 . . . . 0.0 110.531 -176.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1850 ' ' PHE . . . . . 0.4 ' HA ' ' HD2' ' A' 1853 ' ' TYR . 40.0 t80 -58.18 -30.28 66.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.713 175.055 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1851 ' ' VAL . . . . . . . . . . . . . 34.5 m -58.5 -25.04 26.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.794 -0.639 . . . . 0.0 112.075 -177.471 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1852 ' ' ASP . . . . . . . . . . . . . 19.3 t70 -71.99 -52.66 15.97 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.816 0.341 . . . . 0.0 110.457 177.484 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1853 ' ' TYR . . . . . 0.557 ' O ' ' HG2' ' A' 1857 ' ' MET . 20.2 m-85 -61.0 -42.86 99.26 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.13 -0.693 . . . . 0.0 109.13 178.31 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1854 ' ' GLN . . . . . 0.765 ' HG3' ' HB3' ' A' 1968 ' ' LEU . 39.0 tt0 -49.4 -60.5 2.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 114.564 -1.198 . . . . 0.0 110.775 176.589 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1855 ' ' THR . . . . . 0.612 ' O ' ' HG2' ' A' 1859 ' ' ARG . 29.7 m -64.41 -27.75 69.21 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.314 -177.124 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1856 ' ' THR . . . . . 0.458 HG22 ' N ' ' A' 1857 ' ' MET . 1.0 OUTLIER -69.25 -56.17 8.35 Favored 'General case' 0 N--CA 1.445 -0.677 0 CA-C-O 120.838 0.352 . . . . 0.0 111.515 179.029 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A 1857 ' ' MET . . . . . 0.887 ' HG3' HD11 ' A' 1968 ' ' LEU . 7.0 ptm -77.88 -17.72 57.01 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 111.895 0.332 . . . . 0.0 111.895 -170.911 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1858 ' ' VAL . . . . . 0.469 HG13 ' O ' ' A' 1854 ' ' GLN . 34.5 m -66.32 -40.44 86.76 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.165 0 C-N-CA 119.651 -0.82 . . . . 0.0 109.545 170.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1859 ' ' ARG . . . . . 0.612 ' HG2' ' O ' ' A' 1855 ' ' THR . 36.4 mmt180 -62.81 -41.62 99.37 Favored 'General case' 0 CA--C 1.519 -0.213 0 CA-C-O 121.26 0.552 . . . . 0.0 109.611 177.659 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1860 ' ' THR . . . . . 0.443 HG21 ' HB2' ' A' 1896 ' ' LEU . 32.6 m -65.84 -45.22 83.04 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.273 -0.876 . . . . 0.0 111.06 -178.544 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1861 ' ' ALA . . . . . 0.454 ' HB1' ' HB ' ' A' 1961 ' ' VAL . . . -60.64 -41.21 94.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.861 0.363 . . . . 0.0 110.694 178.598 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1862 ' ' LYS . . . . . . . . . . . . . 57.1 mttm -66.7 -38.44 86.76 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.492 177.847 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1863 ' ' ALA . . . . . . . . . . . . . . . -64.26 -42.38 96.51 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.527 177.641 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1864 ' ' ILE . . . . . 0.647 ' O ' HG13 ' A' 1868 ' ' VAL . 66.7 mt -62.28 -46.81 95.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.154 175.689 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1865 ' ' ALA . . . . . 0.801 ' HB2' HG21 ' A' 1961 ' ' VAL . . . -56.07 -48.45 76.07 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.707 -179.345 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1866 ' ' VAL . . . . . . . . . . . . . 8.7 p -67.93 -29.79 46.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 C-N-CA 120.489 -0.484 . . . . 0.0 110.454 -179.509 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1867 ' ' THR . . . . . 0.668 ' O ' ' HG3' ' A' 1871 ' ' MET . 95.8 m -67.39 -50.29 60.24 Favored 'General case' 0 N--CA 1.455 -0.198 0 CA-C-N 116.729 -0.214 . . . . 0.0 110.663 177.842 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1868 ' ' VAL . . . . . 0.647 HG13 ' O ' ' A' 1864 ' ' ILE . 2.9 m -61.54 -31.83 51.75 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.313 0 CA-C-O 121.716 0.769 . . . . 0.0 109.743 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1869 ' ' GLN . . . . . . . . . . . . . 54.7 tp60 -74.31 -32.6 62.91 Favored 'General case' 0 N--CA 1.424 -1.727 0 CA-C-N 114.642 -1.163 . . . . 0.0 110.265 -179.371 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1870 ' ' GLU . . . . . 0.597 ' O ' ' HG2' ' A' 1874 ' ' LYS . 39.2 mt-10 -70.46 -44.49 67.67 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.286 173.271 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1871 ' ' MET . . . . . 0.668 ' HG3' ' O ' ' A' 1867 ' ' THR . 43.1 mtp -52.81 -51.45 60.77 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.034 -177.686 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1872 ' ' VAL . . . . . 0.466 HG12 ' HA ' ' A' 1951 ' ' ILE . 34.5 m -66.98 -29.25 45.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-O 120.891 0.377 . . . . 0.0 111.487 -179.768 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1873 ' ' THR . . . . . . . . . . . . . 97.3 m -72.96 -40.34 65.41 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.65 178.33 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1874 ' ' LYS . . . . . 0.597 ' HG2' ' O ' ' A' 1870 ' ' GLU . 74.5 mmtt -65.84 -39.87 91.2 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.484 178.545 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1875 ' ' SER . . . . . . . . . . . . . 36.1 m -55.62 -18.54 7.99 Favored 'General case' 0 N--CA 1.466 0.357 0 N-CA-C 113.213 0.819 . . . . 0.0 113.213 -172.533 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1876 ' ' ASN . . . . . . . . . . . . . 59.4 m-80 -66.98 -35.52 80.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.912 0.387 . . . . 0.0 110.852 179.438 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1877 ' ' THR . . . . . . . . . . . . . 22.5 p -132.62 -42.36 0.93 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.137 0.494 . . . . 0.0 111.925 -174.07 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1878 ' ' SER . . . . . . . . . . . . . 43.3 m -111.53 97.73 37.72 Favored Pre-proline 0 C--N 1.323 -0.566 0 CA-C-N 115.657 -0.701 . . . . 0.0 111.64 -173.026 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1879 ' ' PRO . . . . . 0.875 ' HA ' HD12 ' A' 1882 ' ' LEU . 61.3 Cg_endo -91.69 -14.07 1.66 Allowed 'Trans proline' 0 N--CA 1.443 -1.461 0 C-N-CA 121.637 1.558 . . . . 0.0 112.631 177.461 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1880 ' ' GLU . . . . . . . . . . . . . 53.4 mm-40 -77.61 -29.04 51.68 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-O 121.185 0.517 . . . . 0.0 109.686 176.832 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1881 ' ' GLU . . . . . . . . . . . . . 19.7 mm-40 -67.25 -14.23 62.72 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.479 -0.782 . . . . 0.0 111.596 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1882 ' ' LEU . . . . . 0.875 HD12 ' HA ' ' A' 1879 ' ' PRO . 0.6 OUTLIER -78.72 -12.61 60.03 Favored 'General case' 0 N--CA 1.442 -0.849 0 CA-C-N 115.936 -0.575 . . . . 0.0 112.002 -177.672 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A 1883 ' ' GLY . . . . . . . . . . . . . . . -63.41 -61.54 6.19 Favored Glycine 0 CA--C 1.519 0.34 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.162 176.238 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1884 ' ' PRO . . . . . . . . . . . . . 13.7 Cg_endo -58.81 -35.83 97.99 Favored 'Trans proline' 0 C--N 1.348 0.52 0 C-N-CA 122.522 2.148 . . . . 0.0 112.47 176.252 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1885 ' ' LEU . . . . . 0.423 ' HB3' ' HG2' ' A' 1871 ' ' MET . 63.1 mt -65.0 -40.2 94.58 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.662 -0.244 . . . . 0.0 111.333 -179.535 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1886 ' ' ALA . . . . . . . . . . . . . . . -61.65 -44.05 97.7 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.167 0.508 . . . . 0.0 110.455 178.099 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1887 ' ' ASN . . . . . . . . . . . . . 94.1 m-20 -66.44 -37.7 85.74 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.49 177.876 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1888 ' ' GLN . . . . . . . . . . . . . 32.6 tp60 -61.88 -48.4 80.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.669 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1889 ' ' LEU . . . . . 0.51 HD12 ' SD ' ' A' 1871 ' ' MET . 1.6 tt -58.94 -42.89 90.88 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.357 0.598 . . . . 0.0 109.472 178.125 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1890 ' ' THR . . . . . . . . . . . . . 90.9 m -61.62 -51.38 68.72 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.18 -0.918 . . . . 0.0 111.659 -178.483 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1891 ' ' SER . . . . . . . . . . . . . 38.6 m -59.81 -46.84 87.98 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.696 -177.113 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1892 ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -67.76 -36.71 80.99 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.446 -178.043 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1893 ' ' TYR . . . . . . . . . . . . . 40.5 t80 -61.98 -36.47 81.57 Favored 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 120.591 -0.443 . . . . 0.0 110.536 177.038 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1894 ' ' GLY . . . . . . . . . . . . . . . -57.46 -38.65 88.18 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.858 -0.687 . . . . 0.0 111.691 177.171 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1895 ' ' ARG . . . . . . . . . . . . . 43.2 ttp-105 -70.6 -45.7 64.81 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.961 0.41 . . . . 0.0 110.098 176.885 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1896 ' ' LEU . . . . . 0.542 HD11 HG11 ' A' 1964 ' ' VAL . 61.3 tp -56.77 -52.28 65.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.608 -0.724 . . . . 0.0 111.508 -179.658 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1897 ' ' ALA . . . . . . . . . . . . . . . -63.91 -24.5 67.76 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.011 -0.541 . . . . 0.0 111.558 -176.811 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1898 ' ' SER . . . . . . . . . . . . . 64.9 m -80.8 -34.3 34.18 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.069 0.461 . . . . 0.0 110.464 -176.137 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1899 ' ' GLN . . . . . 0.425 ' HG3' ' CG2' ' A' 1856 ' ' THR . 87.2 mm-40 -72.27 -14.61 61.81 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.681 179.651 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1900 ' ' ALA . . . . . . . . . . . . . . . -68.47 -26.74 65.64 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.859 -0.609 . . . . 0.0 111.494 179.231 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1901 ' ' LYS . . . . . 0.449 ' HB3' ' HD3' ' A' 1902 ' ' PRO . 85.4 tttt -71.06 -57.87 4.5 Favored Pre-proline 0 CA--C 1.538 0.492 0 C-N-CA 121.096 -0.241 . . . . 0.0 111.173 -178.361 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1902 ' ' PRO . . . . . 0.449 ' HD3' ' HB3' ' A' 1901 ' ' LYS . 31.1 Cg_endo -64.79 -32.34 56.34 Favored 'Trans proline' 0 C--N 1.356 0.923 0 C-N-CA 121.843 1.696 . . . . 0.0 112.169 179.076 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1903 ' ' ALA . . . . . . . . . . . . . . . -68.86 -28.66 66.91 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.985 179.562 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1904 ' ' ALA . . . . . 0.419 ' HA ' ' HA2' ' A' 1913 ' ' GLY . . . -78.94 -47.06 17.08 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.97 0.415 . . . . 0.0 110.748 -179.529 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1905 ' ' VAL . . . . . 0.449 HG22 ' HA ' ' A' 1902 ' ' PRO . 34.9 m -72.49 -27.47 26.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.0 -0.546 . . . . 0.0 111.476 -177.324 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1906 ' ' ALA . . . . . . . . . . . . . . . -105.78 21.98 16.35 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.798 0.332 . . . . 0.0 110.78 179.413 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1907 ' ' ALA . . . . . . . . . . . . . . . -74.31 130.63 40.06 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.309 179.843 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1908 ' ' GLU . . . . . . . . . . . . . 12.1 mp0 -55.11 -47.93 74.31 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.575 -0.739 . . . . 0.0 111.935 175.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1909 ' ' ASN . . . . . 0.609 ' HB2' HG13 ' A' 1912 ' ' ILE . 92.1 m-20 -118.8 163.05 17.46 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.443 -171.28 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1910 ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -56.32 -54.32 46.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.226 -0.897 . . . . 0.0 111.326 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1911 ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -66.92 -31.52 72.17 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.779 -173.618 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1912 ' ' ILE . . . . . 0.609 HG13 ' HB2' ' A' 1909 ' ' ASN . 43.1 mt -59.09 -54.05 39.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 C-N-CA 121.1 -0.24 . . . . 0.0 110.747 -177.401 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1913 ' ' GLY . . . . . 0.419 ' HA2' ' HA ' ' A' 1904 ' ' ALA . . . -65.55 -31.21 79.4 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.473 -177.701 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1914 ' ' ALA . . . . . . . . . . . . . . . -76.88 -48.91 16.94 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.781 0.324 . . . . 0.0 110.998 -177.695 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1915 ' ' HIS . . . . . 0.627 ' O ' ' HG2' ' A' 1919 ' ' ARG . 23.1 m80 -59.99 -44.22 94.66 Favored 'General case' 0 CA--C 1.518 -0.257 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.688 -175.334 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1916 ' ' ILE . . . . . 0.46 HG13 ' O ' ' A' 1912 ' ' ILE . 91.6 mt -52.55 -52.42 26.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 O-C-N 123.462 0.476 . . . . 0.0 111.29 -178.781 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1917 ' ' LYS . . . . . . . . . . . . . 56.9 mtmt -66.27 -37.51 85.62 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.293 -177.59 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1918 ' ' HIS . . . . . . . . . . . . . 31.7 m80 -64.31 -33.4 75.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.816 0.341 . . . . 0.0 111.332 179.103 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1919 ' ' ARG . . . . . 0.627 ' HG2' ' O ' ' A' 1915 ' ' HIS . 26.4 mmt180 -77.69 -47.84 18.21 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.925 -0.31 . . . . 0.0 111.046 -177.063 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1920 ' ' VAL . . . . . . . . . . . . . 34.5 m -66.14 -34.37 69.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 C-N-CA 120.998 -0.281 . . . . 0.0 110.988 -178.785 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1921 ' ' GLN . . . . . . . . . . . . . 53.4 tt0 -62.53 -41.2 98.72 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-O 121.223 0.535 . . . . 0.0 110.105 177.299 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1922 ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -73.89 -35.21 64.66 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.267 178.379 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1923 ' ' LEU . . . . . . . . . . . . . 24.8 mt -59.55 -34.61 72.88 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.409 -0.359 . . . . 0.0 110.442 174.303 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1924 ' ' GLY . . . . . . . . . . . . . . . -57.67 -35.88 75.97 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.881 -0.676 . . . . 0.0 112.26 177.495 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1925 ' ' HIS . . . . . . . . . . . . . 29.7 m170 -78.61 -30.57 46.64 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.998 0.428 . . . . 0.0 110.622 179.686 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1926 ' ' GLY . . . . . . . . . . . . . . . -77.84 -46.29 9.71 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.912 -0.661 . . . . 0.0 112.473 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1927 ' ' CYS . . . . . . . . . . . . . 68.8 m -64.28 -42.25 96.51 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.504 0.192 . . . . 0.0 111.016 -178.595 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1928 ' ' SER . . . . . . . . . . . . . 26.8 p -61.57 -44.92 96.15 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.978 0.418 . . . . 0.0 110.778 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1929 ' ' ALA . . . . . 0.475 ' O ' ' HG2' ' A' 1933 ' ' LYS . . . -62.63 -45.87 90.87 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.588 177.508 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1930 ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.8 -52.4 65.61 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.046 -177.618 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1931 ' ' VAL . . . . . . . . . . . . . 29.1 m -65.23 -28.19 43.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 120.833 0.349 . . . . 0.0 111.243 -176.612 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1932 ' ' THR . . . . . . . . . . . . . 85.7 m -70.5 -41.8 72.17 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.925 0.393 . . . . 0.0 110.21 175.92 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1933 ' ' LYS . . . . . 0.475 ' HG2' ' O ' ' A' 1929 ' ' ALA . 74.3 mmtt -68.17 -40.57 82.28 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.41 177.611 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1934 ' ' ALA . . . . . 0.495 ' O ' ' HB2' ' A' 1938 ' ' GLN . . . -58.89 -39.8 82.54 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.468 175.608 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1935 ' ' GLY . . . . . . . . . . . . . . . -69.37 -34.23 74.11 Favored Glycine 0 N--CA 1.449 -0.474 0 C-N-CA 120.964 -0.636 . . . . 0.0 112.178 177.686 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1936 ' ' ALA . . . . . . . . . . . . . . . -73.43 -45.35 54.96 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.772 0.32 . . . . 0.0 111.12 -179.497 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1937 ' ' LEU . . . . . 0.499 ' N ' HG21 ' A' 1946 ' ' THR . 37.8 tp -67.48 -24.96 65.65 Favored 'General case' 0 CA--C 1.516 -0.327 0 CA-C-O 121.555 0.693 . . . . 0.0 109.789 178.443 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1938 ' ' GLN . . . . . 0.496 ' HG3' ' O ' ' A' 1879 ' ' PRO . 34.7 tt0 -67.16 -26.9 66.88 Favored 'General case' 0 N--CA 1.444 -0.742 0 CA-C-N 115.029 -0.987 . . . . 0.0 109.8 178.048 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1939 ' ' CYS . . . . . . . . . . . . . 66.2 m -86.17 -43.66 12.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.525 176.923 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1940 ' ' SER . . . . . . . . . . . . . 14.6 m -114.79 90.11 21.27 Favored Pre-proline 0 C--N 1.325 -0.5 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.331 -179.156 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1941 ' ' PRO . . . . . 0.624 ' HB3' ' HG3' ' A' 1879 ' ' PRO . 40.9 Cg_endo -70.07 -25.16 27.46 Favored 'Trans proline' 0 C--O 1.235 0.336 0 C-N-CA 122.879 2.386 . . . . 0.0 113.362 -174.71 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1942 ' ' SER . . . . . . . . . . . . . 20.1 m -99.74 7.01 45.42 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.746 0.308 . . . . 0.0 111.138 -176.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1943 ' ' ASP . . . . . . . . . . . . . 21.1 t70 -86.64 104.55 16.17 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.137 0.494 . . . . 0.0 109.828 179.15 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1944 ' ' VAL . . . . . . . . . . . . . 9.0 p -69.96 -27.92 34.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 116.046 -0.524 . . . . 0.0 111.047 -175.534 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1945 ' ' TYR . . . . . 0.487 ' O ' ' HG3' ' A' 1949 ' ' GLU . 91.4 m-85 -61.85 -53.59 53.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.939 0.399 . . . . 0.0 110.513 -178.429 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1946 ' ' THR . . . . . 0.499 HG21 ' N ' ' A' 1937 ' ' LEU . 62.8 m -60.85 -40.48 93.05 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.625 178.466 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1947 ' ' LYS . . . . . . . . . . . . . 30.0 ttpt -60.9 -47.58 85.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.165 178.891 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1948 ' ' LYS . . . . . 0.509 ' HE2' ' HA ' ' A' 1948 ' ' LYS . 7.6 mmpt? -54.22 -49.84 68.52 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.912 179.086 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1949 ' ' GLU . . . . . 0.487 ' HG3' ' O ' ' A' 1945 ' ' TYR . 34.2 mt-10 -57.91 -41.79 83.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.782 -179.612 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1950 ' ' LEU . . . . . 0.713 HD11 HD22 ' A' 1882 ' ' LEU . 6.4 tt -61.32 -49.92 75.07 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.08 179.733 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1951 ' ' ILE . . . . . 0.466 ' HA ' HG12 ' A' 1872 ' ' VAL . 1.8 mp -61.38 -49.11 85.87 Favored 'Isoleucine or valine' 0 C--O 1.235 0.338 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.082 179.383 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1952 ' ' GLU . . . . . 0.562 ' O ' ' HG3' ' A' 1956 ' ' ARG . 45.8 mt-10 -64.4 -33.92 76.97 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.581 -176.846 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1953 ' ' CYS . . . . . . . . . . . . . 35.1 t -72.42 -45.97 57.22 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.731 0.3 . . . . 0.0 110.977 -179.701 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1954 ' ' ALA . . . . . . . . . . . . . . . -64.1 -43.0 96.69 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 112.042 0.386 . . . . 0.0 112.042 -175.312 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1955 ' ' ARG . . . . . 0.465 ' HG2' ' O ' ' A' 1951 ' ' ILE . 8.5 ptp180 -64.71 -24.14 67.47 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.724 0.297 . . . . 0.0 111.196 -179.003 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1956 ' ' ARG . . . . . 0.562 ' HG3' ' O ' ' A' 1952 ' ' GLU . 80.1 mtp180 -78.65 -47.91 16.1 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-O 120.783 0.325 . . . . 0.0 110.739 177.658 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1957 ' ' VAL . . . . . 0.518 ' O ' HG13 ' A' 1961 ' ' VAL . 14.9 m -68.32 -22.87 27.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.555 -174.916 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1958 ' ' SER . . . . . 0.523 ' O ' HG22 ' A' 1961 ' ' VAL . 48.4 t -63.57 -26.1 68.54 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.995 0.426 . . . . 0.0 110.357 177.15 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1959 ' ' GLU . . . . . . . . . . . . . 44.5 mm-40 -82.11 -34.18 29.37 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.043 0.449 . . . . 0.0 110.494 173.429 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1960 ' ' LYS . . . . . . . . . . . . . 34.0 mtpt -68.41 -29.51 68.21 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.26 -178.262 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1961 ' ' VAL . . . . . 0.801 HG21 ' HB2' ' A' 1865 ' ' ALA . 13.9 m -72.55 -33.93 46.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-O 121.202 0.525 . . . . 0.0 110.025 173.363 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1962 ' ' SER . . . . . 0.605 ' HA ' HD12 ' A' 1965 ' ' LEU . 23.5 t -68.94 -24.57 64.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.76 -0.655 . . . . 0.0 109.676 178.627 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1963 ' ' HIS . . . . . . . . . . . . . 55.1 m170 -70.52 -30.89 67.76 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.088 176.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1964 ' ' VAL . . . . . 0.542 HG11 HD11 ' A' 1896 ' ' LEU . 97.4 t -67.24 -46.24 84.48 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.296 0 N-CA-C 108.92 -0.77 . . . . 0.0 108.92 172.499 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1965 ' ' LEU . . . . . 0.605 HD12 ' HA ' ' A' 1962 ' ' SER . 59.9 mt -54.62 -50.23 68.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.049 -0.978 . . . . 0.0 110.7 178.616 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1966 ' ' ALA . . . . . . . . . . . . . . . -69.18 -40.61 78.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.847 -176.826 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1967 ' ' ALA . . . . . . . . . . . . . . . -60.09 -33.65 72.39 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.085 0.469 . . . . 0.0 111.294 -178.683 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1968 ' ' LEU . . . . . 0.887 HD11 ' HG3' ' A' 1857 ' ' MET . 51.7 mt -76.97 -18.08 58.46 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.452 -179.043 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1969 ' ' GLN . . . . . 0.464 ' HG3' ' O ' ' A' 1965 ' ' LEU . 76.7 mt-30 -94.46 8.93 40.39 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.856 0.36 . . . . 0.0 111.391 -175.528 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1970 ' ' ALA . . . . . . . . . . . . . . . -89.63 31.37 0.94 Allowed 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.548 -176.85 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1971 ' ' GLY . . . . . . . . . . . . . . . -81.11 -124.45 0.64 Allowed Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.999 -0.62 . . . . 0.0 112.739 -178.738 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1972 ' ' ASN . . . . . . . . . . . . . 28.0 t-20 -103.16 103.54 13.6 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.976 -0.379 . . . . 0.0 109.976 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1973 ' ' ARG . . . . . . . . . . . . . 21.3 mtp180 . . . . . 0 C--O 1.247 0.922 0 CA-C-O 118.711 -0.661 . . . . 0.0 110.266 -176.971 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A 1837 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.701 0 N-CA-C 112.161 -0.376 . . . . 0.0 112.161 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A 1838 ' ' ILE . . . . . . . . . . . . . 66.7 mt 60.04 94.22 0.04 OUTLIER 'Isoleucine or valine' 0 C--O 1.234 0.266 0 CA-C-O 121.32 0.581 . . . . 0.0 111.122 -178.835 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1839 ' ' ASP . . . . . 0.435 ' HA ' ' HD3' ' A' 1840 ' ' PRO . 8.7 p-10 -104.18 121.61 46.98 Favored Pre-proline 0 C--N 1.321 -0.649 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.626 179.304 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1840 ' ' PRO . . . . . 0.435 ' HD3' ' HA ' ' A' 1839 ' ' ASP . 14.6 Cg_exo -69.65 -37.2 9.75 Favored 'Trans proline' 0 C--N 1.343 0.242 0 C-N-CA 123.146 2.564 . . . . 0.0 112.215 179.837 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1841 ' ' PHE . . . . . . . . . . . . . 23.3 p90 -119.37 136.4 54.29 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.183 179.13 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1842 ' ' THR . . . . . . . . . . . . . 30.5 p -103.54 3.13 34.37 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.24 -171.572 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1843 ' ' MET . . . . . . . . . . . . . 25.7 mmt -128.85 124.93 36.56 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.487 -175.408 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1844 ' ' GLY . . . . . . . . . . . . . . . -100.51 -143.2 13.82 Favored Glycine 0 N--CA 1.445 -0.707 0 N-CA-C 110.142 -1.183 . . . . 0.0 110.142 168.419 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1845 ' ' ASP . . . . . 0.49 ' HB2' ' HG2' ' A' 1847 ' ' GLU . 3.1 p-10 -170.87 133.45 0.95 Allowed Pre-proline 0 C--N 1.326 -0.422 0 CA-C-N 117.307 0.553 . . . . 0.0 111.239 174.56 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1846 ' ' PRO . . . . . . . . . . . . . 84.2 Cg_endo -101.02 18.74 0.28 Allowed 'Trans proline' 0 N--CA 1.451 -0.974 0 C-N-CA 123.623 2.882 . . . . 0.0 111.017 168.747 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1847 ' ' GLU . . . . . 0.49 ' HG2' ' HB2' ' A' 1845 ' ' ASP . 13.5 pt-20 -123.54 40.61 3.68 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.518 -0.765 . . . . 0.0 111.131 -170.886 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1848 ' ' GLY . . . . . . . . . . . . . . . -108.91 23.62 23.29 Favored Glycine 0 N--CA 1.448 -0.515 0 C-N-CA 120.738 -0.744 . . . . 0.0 113.079 -178.898 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1849 ' ' SER . . . . . . . . . . . . . 21.6 t -102.42 -31.63 10.38 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.117 0.485 . . . . 0.0 110.109 177.223 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1850 ' ' PHE . . . . . . . . . . . . . 79.1 t80 -66.64 -20.9 66.09 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.393 178.134 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1851 ' ' VAL . . . . . . . . . . . . . 33.7 m -54.47 -34.9 29.76 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.336 0 N-CA-C 112.804 0.668 . . . . 0.0 112.804 -174.203 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1852 ' ' ASP . . . . . . . . . . . . . 25.7 t70 -68.98 -49.27 59.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.82 0.343 . . . . 0.0 110.735 -178.697 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1853 ' ' TYR . . . . . 0.52 ' O ' ' HG2' ' A' 1857 ' ' MET . 62.0 m-85 -62.21 -37.41 85.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.796 -0.638 . . . . 0.0 109.851 178.116 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1854 ' ' GLN . . . . . 0.601 ' HG3' ' HB3' ' A' 1968 ' ' LEU . 26.5 tt0 -56.1 -51.95 66.08 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.172 -0.922 . . . . 0.0 110.532 174.182 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1855 ' ' THR . . . . . 0.542 ' O ' ' HG2' ' A' 1859 ' ' ARG . 59.0 m -56.08 -44.81 79.34 Favored 'General case' 0 CA--C 1.531 0.235 0 CA-C-N 115.544 -0.753 . . . . 0.0 112.436 -173.583 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1856 ' ' THR . . . . . 0.479 HG23 ' N ' ' A' 1857 ' ' MET . 8.9 t -65.56 -49.4 69.01 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.967 0.413 . . . . 0.0 111.927 -175.274 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1857 ' ' MET . . . . . 0.557 ' HG3' ' CD1' ' A' 1968 ' ' LEU . 6.3 ptm -82.48 -18.69 40.78 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 112.578 0.584 . . . . 0.0 112.578 -172.016 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1858 ' ' VAL . . . . . 0.534 HG13 ' O ' ' A' 1854 ' ' GLN . 33.2 m -67.57 -38.73 81.04 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.305 0 C-N-CA 119.466 -0.894 . . . . 0.0 109.08 171.081 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1859 ' ' ARG . . . . . 0.542 ' HG2' ' O ' ' A' 1855 ' ' THR . 21.0 mmm180 -66.64 -43.92 83.33 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.026 -0.533 . . . . 0.0 109.925 177.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1860 ' ' THR . . . . . 0.478 ' O ' HG13 ' A' 1864 ' ' ILE . 62.3 m -64.37 -42.56 96.12 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.404 -0.816 . . . . 0.0 111.462 -178.487 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1861 ' ' ALA . . . . . . . . . . . . . . . -58.82 -41.35 86.64 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.94 0.4 . . . . 0.0 110.901 179.441 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1862 ' ' LYS . . . . . . . . . . . . . 48.0 mttm -66.04 -38.1 87.55 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.485 178.773 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1863 ' ' ALA . . . . . . . . . . . . . . . -67.47 -36.8 81.85 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.588 -179.575 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1864 ' ' ILE . . . . . 0.478 HG13 ' O ' ' A' 1860 ' ' THR . 70.7 mt -67.53 -43.96 86.84 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.058 175.598 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1865 ' ' ALA . . . . . 0.845 ' HB2' HG21 ' A' 1961 ' ' VAL . . . -57.26 -44.94 84.35 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.885 -178.785 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1866 ' ' VAL . . . . . 0.646 ' HA ' ' HG2' ' A' 1869 ' ' GLN . 10.0 p -71.99 -30.18 35.8 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 C-N-CA 120.564 -0.454 . . . . 0.0 110.603 179.648 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1867 ' ' THR . . . . . . . . . . . . . 97.1 m -69.31 -46.35 67.34 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.732 0.301 . . . . 0.0 110.867 178.577 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1868 ' ' VAL . . . . . . . . . . . . . 32.7 m -66.94 -32.19 56.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-O 120.788 0.328 . . . . 0.0 110.706 -179.369 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1869 ' ' GLN . . . . . 0.646 ' HG2' ' HA ' ' A' 1866 ' ' VAL . 9.5 pt20 -78.65 -27.94 45.34 Favored 'General case' 0 N--CA 1.45 -0.427 0 C-N-CA 120.782 -0.367 . . . . 0.0 110.396 178.693 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1870 ' ' GLU . . . . . . . . . . . . . 29.0 mt-10 -61.77 -37.54 84.71 Favored 'General case' 0 C--O 1.222 -0.347 0 N-CA-C 109.827 -0.435 . . . . 0.0 109.827 171.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1871 ' ' MET . . . . . 0.474 ' HB3' HD21 ' A' 1950 ' ' LEU . 8.1 mtt -55.44 -48.88 73.76 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.948 178.257 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1872 ' ' VAL . . . . . 1.001 ' HB ' HG13 ' A' 1951 ' ' ILE . 1.6 m -70.82 -29.1 36.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-O 121.489 0.661 . . . . 0.0 110.68 -177.347 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1873 ' ' THR . . . . . . . . . . . . . 49.7 m -80.28 -36.93 33.78 Favored 'General case' 0 N--CA 1.441 -0.898 0 CA-C-N 115.072 -0.967 . . . . 0.0 111.619 -177.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1874 ' ' LYS . . . . . . . . . . . . . 68.8 mmtt -74.28 -38.54 63.38 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.091 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1875 ' ' SER . . . . . 0.564 ' HB3' HD11 ' A' 1882 ' ' LEU . 3.9 p -61.53 -10.96 9.07 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 112.431 0.53 . . . . 0.0 112.431 -175.252 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1876 ' ' ASN . . . . . . . . . . . . . 92.3 m-20 -61.85 -43.61 98.49 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.93 0.395 . . . . 0.0 110.61 175.285 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1877 ' ' THR . . . . . . . . . . . . . 43.5 p -130.81 -7.75 4.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 0.0 112.191 -174.837 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1878 ' ' SER . . . . . . . . . . . . . 36.2 m -142.25 105.15 5.58 Favored Pre-proline 0 C--N 1.322 -0.591 0 CA-C-N 116.566 -0.288 . . . . 0.0 111.304 -173.401 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1879 ' ' PRO . . . . . 0.829 ' HA ' HD12 ' A' 1882 ' ' LEU . 30.7 Cg_endo -90.88 -24.28 0.46 Allowed 'Trans proline' 0 N--CA 1.448 -1.195 0 C-N-CA 121.705 1.603 . . . . 0.0 112.797 176.356 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1880 ' ' GLU . . . . . . . . . . . . . 44.0 mm-40 -73.09 -30.66 63.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.763 0.316 . . . . 0.0 110.746 -178.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1881 ' ' GLU . . . . . . . . . . . . . 36.8 mm-40 -65.09 -15.18 62.09 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.394 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1882 ' ' LEU . . . . . 0.829 HD12 ' HA ' ' A' 1879 ' ' PRO . 1.0 OUTLIER -78.97 -14.14 59.38 Favored 'General case' 0 N--CA 1.44 -0.926 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.052 -177.553 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A 1883 ' ' GLY . . . . . . . . . . . . . . . -62.25 -60.34 8.08 Favored Glycine 0 CA--C 1.52 0.396 0 C-N-CA 120.918 -0.658 . . . . 0.0 111.898 175.307 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1884 ' ' PRO . . . . . . . . . . . . . 34.8 Cg_exo -58.86 -39.63 79.65 Favored 'Trans proline' 0 C--N 1.349 0.586 0 C-N-CA 122.64 2.227 . . . . 0.0 112.241 174.816 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1885 ' ' LEU . . . . . 0.411 HD23 ' HA ' ' A' 1885 ' ' LEU . 48.2 mt -61.38 -34.95 76.18 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-N 116.597 -0.274 . . . . 0.0 111.312 -179.529 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1886 ' ' ALA . . . . . 0.496 ' HB1' ' HB ' ' A' 1931 ' ' VAL . . . -64.7 -43.46 93.42 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.959 0.409 . . . . 0.0 110.524 177.147 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1887 ' ' ASN . . . . . . . . . . . . . 92.6 m-20 -66.68 -40.27 88.47 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.154 -0.475 . . . . 0.0 109.87 177.279 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1888 ' ' GLN . . . . . . . . . . . . . 53.8 tp60 -58.28 -50.88 72.02 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.39 -0.823 . . . . 0.0 110.974 178.305 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1889 ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -54.99 -52.33 63.43 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 177.356 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1890 ' ' THR . . . . . . . . . . . . . 79.2 m -55.12 -42.11 72.54 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 114.849 -1.069 . . . . 0.0 111.763 -179.646 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1891 ' ' SER . . . . . . . . . . . . . 32.4 m -65.5 -48.69 71.72 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.2 -177.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1892 ' ' ASP . . . . . 0.402 ' HB3' HG12 ' A' 1864 ' ' ILE . 0.4 OUTLIER -71.54 -35.07 70.54 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.563 -0.29 . . . . 0.0 111.437 -178.125 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A 1893 ' ' TYR . . . . . . . . . . . . . 20.9 t80 -58.93 -43.54 91.18 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 110.091 -0.337 . . . . 0.0 110.091 173.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1894 ' ' GLY . . . . . 0.456 ' O ' ' HB2' ' A' 1898 ' ' SER . . . -58.59 -33.85 73.81 Favored Glycine 0 N--CA 1.449 -0.459 0 C-N-CA 121.047 -0.597 . . . . 0.0 112.013 178.048 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1895 ' ' ARG . . . . . . . . . . . . . 45.4 ttm180 -73.85 -45.86 48.48 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.846 0.355 . . . . 0.0 110.206 178.591 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1896 ' ' LEU . . . . . 0.664 HD11 HG11 ' A' 1964 ' ' VAL . 46.1 tp -60.67 -49.72 76.39 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.805 179.262 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1897 ' ' ALA . . . . . . . . . . . . . . . -65.26 -23.07 66.95 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.217 -179.377 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1898 ' ' SER . . . . . 0.456 ' HB2' ' O ' ' A' 1894 ' ' GLY . 9.1 t -79.39 -36.21 39.51 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 109.581 -0.526 . . . . 0.0 109.581 -177.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1899 ' ' GLN . . . . . 0.487 ' HA ' ' OE1' ' A' 1899 ' ' GLN . 8.1 mm-40 -76.33 -13.8 60.13 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.728 179.502 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1900 ' ' ALA . . . . . . . . . . . . . . . -67.93 -22.87 65.04 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.98 178.271 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1901 ' ' LYS . . . . . 0.661 ' HB3' ' HD3' ' A' 1902 ' ' PRO . 11.3 tmtt? -75.08 -57.43 1.76 Allowed Pre-proline 0 CA--C 1.541 0.616 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.861 -178.386 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1902 ' ' PRO . . . . . 0.661 ' HD3' ' HB3' ' A' 1901 ' ' LYS . 15.1 Cg_exo -67.81 -29.5 35.19 Favored 'Trans proline' 0 C--N 1.357 1.013 0 C-N-CA 122.08 1.853 . . . . 0.0 112.239 -178.83 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1903 ' ' ALA . . . . . . . . . . . . . . . -69.12 -34.13 74.56 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.791 179.383 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1904 ' ' ALA . . . . . . . . . . . . . . . -78.14 -38.01 44.77 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.053 -177.804 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1905 ' ' VAL . . . . . 0.527 HG22 ' HA ' ' A' 1902 ' ' PRO . 21.9 m -74.3 -26.55 20.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.365 -177.305 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1906 ' ' ALA . . . . . . . . . . . . . . . -96.94 -3.67 41.35 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.661 0.267 . . . . 0.0 111.04 179.109 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1907 ' ' ALA . . . . . . . . . . . . . . . -57.56 122.01 11.7 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.542 -177.28 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1908 ' ' GLU . . . . . 0.569 ' HB2' HD21 ' A' 1972 ' ' ASN . 55.9 mp0 -66.31 -18.81 65.58 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.553 -0.749 . . . . 0.0 111.389 -179.511 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1909 ' ' ASN . . . . . 0.73 ' HB3' HG13 ' A' 1912 ' ' ILE . 18.9 t-20 -127.71 154.65 45.08 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.735 -171.063 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1910 ' ' GLU . . . . . . . . . . . . . 15.1 tp10 -56.47 -51.3 68.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.625 177.027 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1911 ' ' GLU . . . . . 0.517 ' HB3' ' CD2' ' A' 1915 ' ' HIS . 7.7 mt-10 -77.14 -31.47 55.69 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.604 -0.726 . . . . 0.0 112.247 -172.197 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1912 ' ' ILE . . . . . 0.73 HG13 ' HB3' ' A' 1909 ' ' ASN . 86.1 mt -52.58 -53.57 19.64 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.351 0 CA-C-O 120.738 0.304 . . . . 0.0 110.526 -179.795 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1913 ' ' GLY . . . . . . . . . . . . . . . -73.48 -29.21 64.21 Favored Glycine 0 N--CA 1.449 -0.477 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.381 -179.426 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1914 ' ' ALA . . . . . . . . . . . . . . . -69.09 -50.88 44.22 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 110.306 -0.257 . . . . 0.0 110.306 -178.546 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1915 ' ' HIS . . . . . 0.619 ' O ' ' HG2' ' A' 1919 ' ' ARG . 76.5 m-70 -56.71 -43.81 80.95 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.964 -177.227 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1916 ' ' ILE . . . . . . . . . . . . . 93.2 mt -55.47 -58.26 5.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.236 179.793 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1917 ' ' LYS . . . . . . . . . . . . . 55.3 mtmt -66.15 -24.66 66.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.338 -178.287 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1918 ' ' HIS . . . . . . . . . . . . . 2.2 m80 -73.5 -39.85 64.53 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.001 0.429 . . . . 0.0 111.09 177.209 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1919 ' ' ARG . . . . . 0.619 ' HG2' ' O ' ' A' 1915 ' ' HIS . 27.2 mmt180 -81.27 -36.44 29.89 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.286 -0.416 . . . . 0.0 112.063 -173.881 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1920 ' ' VAL . . . . . . . . . . . . . 20.8 m -68.84 -23.84 27.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 121.215 0.531 . . . . 0.0 109.844 175.804 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1921 ' ' GLN . . . . . . . . . . . . . 24.0 tm0? -67.71 -35.22 78.38 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.6 -0.727 . . . . 0.0 109.974 177.211 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1922 ' ' GLU . . . . . 0.639 ' HB3' ' HD3' ' A' 1960 ' ' LYS . 45.9 mt-10 -62.26 -48.59 79.27 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.706 0.765 . . . . 0.0 109.794 174.274 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1923 ' ' LEU . . . . . 0.644 ' HG ' ' SG ' ' A' 1927 ' ' CYS . 20.1 tp -65.35 -28.81 69.55 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 114.767 -1.106 . . . . 0.0 111.231 -174.502 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1924 ' ' GLY . . . . . . . . . . . . . . . -54.83 -51.53 52.48 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 121.239 -0.505 . . . . 0.0 112.794 -179.438 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1925 ' ' HIS . . . . . . . . . . . . . 32.5 m170 -70.67 -34.95 72.55 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.812 0.339 . . . . 0.0 110.52 179.562 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1926 ' ' GLY . . . . . 0.423 ' O ' ' HB2' ' A' 1930 ' ' LEU . . . -63.3 -43.2 98.79 Favored Glycine 0 N--CA 1.448 -0.512 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.254 179.441 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1927 ' ' CYS . . . . . 0.644 ' SG ' ' HG ' ' A' 1923 ' ' LEU . 75.6 m -65.46 -46.29 80.39 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.351 0.12 . . . . 0.0 111.175 -178.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1928 ' ' SER . . . . . . . . . . . . . 28.8 p -64.29 -37.65 88.23 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.817 0.341 . . . . 0.0 110.932 -177.16 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1929 ' ' ALA . . . . . . . . . . . . . . . -70.64 -45.54 64.98 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.68 177.556 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1930 ' ' LEU . . . . . 0.423 ' HB2' ' O ' ' A' 1926 ' ' GLY . 0.4 OUTLIER -62.57 -50.3 71.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.432 -177.19 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A 1931 ' ' VAL . . . . . 0.496 ' HB ' ' HB1' ' A' 1886 ' ' ALA . 26.6 m -64.25 -28.02 43.98 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.172 0 CA-C-O 120.866 0.365 . . . . 0.0 111.196 -176.527 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1932 ' ' THR . . . . . . . . . . . . . 75.0 m -71.22 -42.03 69.45 Favored 'General case' 0 N--CA 1.451 -0.391 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.417 176.449 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1933 ' ' LYS . . . . . . . . . . . . . 32.9 mmtp -73.36 -26.96 61.23 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.888 179.163 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1934 ' ' ALA . . . . . . . . . . . . . . . -61.01 -50.15 74.54 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.147 0.499 . . . . 0.0 109.97 174.152 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1935 ' ' GLY . . . . . 0.49 ' O ' ' HG3' ' A' 1938 ' ' GLN . . . -69.7 -30.45 70.67 Favored Glycine 0 N--CA 1.447 -0.596 0 CA-C-N 115.616 -0.72 . . . . 0.0 112.115 177.098 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1936 ' ' ALA . . . . . . . . . . . . . . . -69.66 -39.62 76.96 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.743 0.306 . . . . 0.0 110.93 179.432 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1937 ' ' LEU . . . . . . . . . . . . . 64.9 tp -69.43 -34.26 74.17 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.319 -178.051 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1938 ' ' GLN . . . . . 0.655 ' HB3' ' O ' ' A' 1879 ' ' PRO . 0.0 OUTLIER -72.32 -25.69 61.66 Favored 'General case' 0 C--N 1.321 -0.64 0 C-N-CA 119.649 -0.821 . . . . 0.0 110.505 177.303 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A 1939 ' ' CYS . . . . . . . . . . . . . 74.7 m -76.19 -33.44 59.29 Favored 'General case' 0 CA--C 1.532 0.258 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.802 173.282 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1940 ' ' SER . . . . . . . . . . . . . 33.1 m -129.21 78.61 75.75 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 120.829 0.347 . . . . 0.0 110.536 177.837 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1941 ' ' PRO . . . . . 0.531 ' HB3' ' HG3' ' A' 1879 ' ' PRO . 7.1 Cg_exo -74.81 -24.53 13.16 Favored 'Trans proline' 0 C--N 1.342 0.233 0 C-N-CA 123.179 2.586 . . . . 0.0 112.95 -173.596 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1942 ' ' SER . . . . . . . . . . . . . 20.4 m -84.71 -15.29 45.7 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.762 -177.542 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1943 ' ' ASP . . . . . . . . . . . . . 36.4 t70 -81.65 112.44 18.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.009 -179.711 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1944 ' ' VAL . . . . . . . . . . . . . 8.0 p -71.07 -28.25 32.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.972 -176.204 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1945 ' ' TYR . . . . . 0.425 ' O ' ' HG3' ' A' 1949 ' ' GLU . 95.3 m-85 -69.78 -42.23 74.08 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 111.748 0.277 . . . . 0.0 111.748 -173.817 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1946 ' ' THR . . . . . . . . . . . . . 91.8 m -57.95 -40.24 80.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.17 0.509 . . . . 0.0 110.102 173.389 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1947 ' ' LYS . . . . . 0.434 ' HE2' ' HB3' ' A' 1947 ' ' LYS . 32.4 ttpt -66.43 -45.97 78.08 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.544 177.783 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1948 ' ' LYS . . . . . 0.506 ' O ' ' HG3' ' A' 1952 ' ' GLU . 0.0 OUTLIER -53.38 -53.25 53.89 Favored 'General case' 0 CA--C 1.519 -0.242 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.585 -179.95 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A 1949 ' ' GLU . . . . . 0.425 ' HG3' ' O ' ' A' 1945 ' ' TYR . 35.1 mt-10 -55.76 -38.45 69.86 Favored 'General case' 0 C--O 1.225 -0.192 0 O-C-N 123.73 0.643 . . . . 0.0 111.191 -177.786 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1950 ' ' LEU . . . . . 0.688 HD11 HD22 ' A' 1882 ' ' LEU . 9.7 tt -63.1 -48.84 76.87 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.503 -179.863 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1951 ' ' ILE . . . . . 1.001 HG13 ' HB ' ' A' 1872 ' ' VAL . 1.8 mp -63.04 -40.53 89.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 121.092 0.472 . . . . 0.0 110.027 177.618 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1952 ' ' GLU . . . . . 0.574 ' O ' ' HG3' ' A' 1956 ' ' ARG . 43.4 mt-10 -69.43 -22.48 63.67 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.576 -179.035 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1953 ' ' CYS . . . . . . . . . . . . . 63.8 m -80.16 -43.97 20.68 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.3 177.404 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1954 ' ' ALA . . . . . 0.438 ' HA ' HG22 ' A' 1957 ' ' VAL . . . -59.61 -41.69 90.95 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.099 -179.034 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1955 ' ' ARG . . . . . 0.407 ' HG3' ' O ' ' A' 1952 ' ' GLU . 0.0 OUTLIER -63.01 -24.44 67.92 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.835 0.35 . . . . 0.0 110.949 179.878 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A 1956 ' ' ARG . . . . . 0.574 ' HG3' ' O ' ' A' 1952 ' ' GLU . 97.8 mtt180 -76.29 -48.59 19.62 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.185 0.517 . . . . 0.0 109.883 177.566 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1957 ' ' VAL . . . . . 0.593 ' O ' HG13 ' A' 1961 ' ' VAL . 13.0 m -74.2 -27.87 22.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.833 -0.622 . . . . 0.0 111.868 -173.371 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1958 ' ' SER . . . . . 0.581 ' O ' HG22 ' A' 1961 ' ' VAL . 14.9 m -65.31 -24.62 67.32 Favored 'General case' 0 CA--C 1.531 0.232 0 CA-C-O 121.198 0.523 . . . . 0.0 110.365 179.902 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1959 ' ' GLU . . . . . . . . . . . . . 28.0 mm-40 -80.24 -35.07 36.64 Favored 'General case' 0 CA--C 1.517 -0.326 0 N-CA-C 109.919 -0.4 . . . . 0.0 109.919 173.474 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1960 ' ' LYS . . . . . 0.639 ' HD3' ' HB3' ' A' 1922 ' ' GLU . 67.6 mttm -66.44 -35.11 79.47 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.553 -179.358 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1961 ' ' VAL . . . . . 0.845 HG21 ' HB2' ' A' 1865 ' ' ALA . 3.8 m -67.07 -34.41 69.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 N-CA-C 109.548 -0.538 . . . . 0.0 109.548 174.734 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1962 ' ' SER . . . . . 0.588 ' HA ' HD12 ' A' 1965 ' ' LEU . 35.5 m -73.33 -25.16 60.51 Favored 'General case' 0 N--CA 1.453 -0.319 0 CA-C-N 115.627 -0.715 . . . . 0.0 109.881 178.497 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1963 ' ' HIS . . . . . 0.607 ' HB3' ' HD2' ' A' 1919 ' ' ARG . 63.6 m170 -69.31 -35.08 75.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.179 176.087 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1964 ' ' VAL . . . . . 0.664 HG11 HD11 ' A' 1896 ' ' LEU . 66.5 t -65.75 -44.86 93.05 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.251 0 N-CA-C 108.888 -0.782 . . . . 0.0 108.888 174.511 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1965 ' ' LEU . . . . . 0.588 HD12 ' HA ' ' A' 1962 ' ' SER . 83.0 mt -55.53 -49.67 72.02 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.369 -0.832 . . . . 0.0 110.679 177.439 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1966 ' ' ALA . . . . . . . . . . . . . . . -63.01 -26.83 69.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.697 -179.532 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1967 ' ' ALA . . . . . . . . . . . . . . . -78.72 -34.86 45.64 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.075 0.464 . . . . 0.0 110.932 179.199 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1968 ' ' LEU . . . . . 0.601 ' HB3' ' HG3' ' A' 1854 ' ' GLN . 45.8 mt -79.05 -38.81 35.55 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.804 -0.634 . . . . 0.0 111.194 -176.236 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1969 ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -76.92 3.8 11.31 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.291 176.452 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1970 ' ' ALA . . . . . . . . . . . . . . . -86.49 151.47 23.48 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.073 176.54 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1971 ' ' GLY . . . . . . . . . . . . . . . -137.84 -153.59 6.34 Favored Glycine 0 N--CA 1.446 -0.642 0 C-N-CA 120.36 -0.924 . . . . 0.0 112.314 -177.839 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1972 ' ' ASN . . . . . 0.569 HD21 ' HB2' ' A' 1908 ' ' GLU . 34.1 m-80 -98.71 4.41 47.83 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.972 0.415 . . . . 0.0 110.723 179.345 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1973 ' ' ARG . . . . . 0.448 HH11 ' HD3' ' A' 1973 ' ' ARG . 38.5 mtt-85 . . . . . 0 C--O 1.249 1.04 0 CA-C-O 118.425 -0.797 . . . . 0.0 110.17 -175.727 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1837 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.652 0 N-CA-C 111.918 -0.473 . . . . 0.0 111.918 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A 1838 ' ' ILE . . . . . . . . . . . . . 67.1 mt -82.44 101.55 7.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-O 121.007 0.432 . . . . 0.0 110.364 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1839 ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -101.0 152.84 37.95 Favored Pre-proline 0 C--N 1.32 -0.697 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.371 178.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1840 ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -71.97 1.32 6.0 Favored 'Trans proline' 0 N--CA 1.465 -0.186 0 C-N-CA 122.85 2.366 . . . . 0.0 111.841 179.117 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1841 ' ' PHE . . . . . . . . . . . . . 56.9 m-85 -103.29 -10.0 19.06 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.667 -0.697 . . . . 0.0 109.923 177.442 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1842 ' ' THR . . . . . . . . . . . . . 38.7 p -118.72 99.24 6.66 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.255 179.079 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1843 ' ' MET . . . . . 0.63 ' SD ' ' HA ' ' A' 1849 ' ' SER . 19.7 mmt -83.03 136.51 34.47 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 120.817 0.342 . . . . 0.0 110.513 -176.697 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1844 ' ' GLY . . . . . 0.791 ' H ' HG11 ' A' 1851 ' ' VAL . . . -71.89 -26.43 72.66 Favored Glycine 0 N--CA 1.45 -0.416 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.972 177.708 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1845 ' ' ASP . . . . . 0.407 ' OD2' HG13 ' A' 1851 ' ' VAL . 3.6 p30 -101.97 154.76 37.13 Favored Pre-proline 0 C--N 1.325 -0.495 0 N-CA-C 109.221 -0.659 . . . . 0.0 109.221 175.079 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1846 ' ' PRO . . . . . . . . . . . . . 83.4 Cg_endo -95.22 12.95 1.37 Allowed 'Trans proline' 0 N--CA 1.452 -0.912 0 C-N-CA 122.686 2.258 . . . . 0.0 113.165 -178.936 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1847 ' ' GLU . . . . . 0.486 ' CB ' ' HG2' ' A' 1908 ' ' GLU . 6.3 pt-20 -110.42 -15.69 13.87 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 112.582 0.586 . . . . 0.0 112.582 -173.471 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1848 ' ' GLY . . . . . . . . . . . . . . . 160.74 -148.22 16.02 Favored Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 120.247 -0.978 . . . . 0.0 113.055 173.88 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1849 ' ' SER . . . . . 0.63 ' HA ' ' SD ' ' A' 1843 ' ' MET . 5.0 p -92.03 33.24 1.07 Allowed 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.361 0.601 . . . . 0.0 110.547 179.715 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1850 ' ' PHE . . . . . . . . . . . . . 72.4 t80 -63.5 -26.55 68.76 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.357 -0.838 . . . . 0.0 110.74 -176.445 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1851 ' ' VAL . . . . . 0.791 HG11 ' H ' ' A' 1844 ' ' GLY . 35.4 m -54.83 -37.6 41.42 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.182 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.995 178.529 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1852 ' ' ASP . . . . . . . . . . . . . 31.7 t70 -72.5 -51.76 18.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.768 0.318 . . . . 0.0 110.425 -177.013 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1853 ' ' TYR . . . . . 0.42 ' O ' ' HG2' ' A' 1857 ' ' MET . 75.1 m-85 -61.0 -40.83 95.0 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.953 179.824 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1854 ' ' GLN . . . . . 0.864 ' HG3' ' HB3' ' A' 1968 ' ' LEU . 6.4 tt0 -56.03 -60.25 3.75 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.812 0.339 . . . . 0.0 110.374 176.27 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1855 ' ' THR . . . . . 0.669 ' O ' ' HG2' ' A' 1859 ' ' ARG . 17.3 m -59.25 -45.96 89.77 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.615 -175.83 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1856 ' ' THR . . . . . . . . . . . . . 2.9 t -63.37 -45.8 89.48 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.846 -172.663 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1857 ' ' MET . . . . . 0.637 ' HB2' HD12 ' A' 1896 ' ' LEU . 22.6 ptm -82.63 -25.3 33.27 Favored 'General case' 0 C--N 1.329 -0.306 0 O-C-N 122.028 -0.42 . . . . 0.0 111.669 -172.501 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1858 ' ' VAL . . . . . 0.469 HG13 ' O ' ' A' 1854 ' ' GLN . 25.7 m -71.45 -31.15 42.06 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.108 0 C-N-CA 119.773 -0.771 . . . . 0.0 109.667 174.515 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1859 ' ' ARG . . . . . 0.669 ' HG2' ' O ' ' A' 1855 ' ' THR . 22.6 mmt180 -68.64 -35.24 77.01 Favored 'General case' 0 C--N 1.333 -0.148 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 173.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1860 ' ' THR . . . . . . . . . . . . . 29.4 m -68.71 -39.51 80.43 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.266 -0.879 . . . . 0.0 110.516 177.805 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1861 ' ' ALA . . . . . 0.414 ' HB1' ' HB ' ' A' 1961 ' ' VAL . . . -62.68 -37.24 85.65 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.085 0.469 . . . . 0.0 110.607 177.218 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1862 ' ' LYS . . . . . 0.428 ' HD2' ' HA ' ' A' 1859 ' ' ARG . 53.8 mttm -66.18 -37.18 84.99 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.415 176.478 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1863 ' ' ALA . . . . . . . . . . . . . . . -63.4 -39.7 95.21 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.208 0.527 . . . . 0.0 110.4 175.767 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1864 ' ' ILE . . . . . 0.637 ' O ' HG13 ' A' 1868 ' ' VAL . 79.6 mt -63.56 -48.41 87.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.031 174.93 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1865 ' ' ALA . . . . . 0.868 ' HB2' HG21 ' A' 1961 ' ' VAL . . . -57.43 -41.68 80.93 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.92 -0.582 . . . . 0.0 112.376 -177.469 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1866 ' ' VAL . . . . . 0.443 ' O ' ' HG3' ' A' 1870 ' ' GLU . 13.5 p -72.46 -33.15 44.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 C-N-CA 120.644 -0.422 . . . . 0.0 110.361 179.231 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1867 ' ' THR . . . . . 0.652 ' O ' ' HG3' ' A' 1871 ' ' MET . 97.3 m -64.77 -51.44 62.25 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.694 -0.23 . . . . 0.0 110.805 178.224 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1868 ' ' VAL . . . . . 0.637 HG13 ' O ' ' A' 1864 ' ' ILE . 3.2 m -60.5 -29.57 44.81 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.286 0 CA-C-O 121.706 0.765 . . . . 0.0 110.079 -179.319 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1869 ' ' GLN . . . . . . . . . . . . . 56.8 tp60 -77.34 -33.63 55.36 Favored 'General case' 0 N--CA 1.424 -1.762 0 CA-C-N 114.731 -1.122 . . . . 0.0 110.004 -178.396 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1870 ' ' GLU . . . . . 0.547 ' O ' ' HG2' ' A' 1874 ' ' LYS . 47.8 mt-10 -70.17 -38.72 75.47 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.115 172.682 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1871 ' ' MET . . . . . 0.652 ' HG3' ' O ' ' A' 1867 ' ' THR . 64.5 mtp -57.88 -43.04 85.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.059 -178.157 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1872 ' ' VAL . . . . . 0.55 HG12 ' HA ' ' A' 1951 ' ' ILE . 32.1 m -74.25 -28.85 23.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.801 0.334 . . . . 0.0 111.212 179.05 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1873 ' ' THR . . . . . . . . . . . . . 78.8 m -71.79 -48.71 44.7 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.433 178.202 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1874 ' ' LYS . . . . . 0.547 ' HG2' ' O ' ' A' 1870 ' ' GLU . 75.6 mmtt -66.41 -42.29 88.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.68 -175.827 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1875 ' ' SER . . . . . 0.647 ' HB3' HD11 ' A' 1882 ' ' LEU . 6.2 p -56.56 -14.24 3.0 Favored 'General case' 0 N--CA 1.468 0.461 0 N-CA-C 113.177 0.806 . . . . 0.0 113.177 -171.836 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1876 ' ' ASN . . . . . . . . . . . . . 52.3 m-80 -58.83 -46.33 87.94 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.78 0.324 . . . . 0.0 110.437 174.893 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1877 ' ' THR . . . . . . . . . . . . . 76.8 p -124.73 -23.89 4.25 Favored 'General case' 0 CA--C 1.534 0.355 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.959 -178.289 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1878 ' ' SER . . . . . 0.466 ' HB2' ' HB3' ' A' 1874 ' ' LYS . 70.5 m -109.27 98.92 33.86 Favored Pre-proline 0 C--N 1.325 -0.471 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.666 -174.951 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1879 ' ' PRO . . . . . 0.866 ' HA ' HD12 ' A' 1882 ' ' LEU . 33.1 Cg_endo -96.48 -18.88 0.25 Allowed 'Trans proline' 0 N--CA 1.442 -1.51 0 C-N-CA 121.985 1.79 . . . . 0.0 112.295 172.195 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1880 ' ' GLU . . . . . 0.412 ' HA ' ' HG3' ' A' 1938 ' ' GLN . 36.9 mt-10 -80.14 -43.81 20.99 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 121.014 0.435 . . . . 0.0 109.98 178.659 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1881 ' ' GLU . . . . . . . . . . . . . 26.6 tt0 -59.38 -14.61 12.56 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.36 -0.836 . . . . 0.0 111.345 178.581 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1882 ' ' LEU . . . . . 0.866 HD12 ' HA ' ' A' 1879 ' ' PRO . 5.8 mt -70.78 -16.86 62.78 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.287 -0.87 . . . . 0.0 112.112 -179.276 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1883 ' ' GLY . . . . . . . . . . . . . . . -62.95 -60.59 7.44 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.68 -0.771 . . . . 0.0 111.983 176.745 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1884 ' ' PRO . . . . . . . . . . . . . 61.1 Cg_exo -51.92 -44.7 43.45 Favored 'Trans proline' 0 C--N 1.348 0.502 0 C-N-CA 122.594 2.196 . . . . 0.0 112.439 174.652 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1885 ' ' LEU . . . . . 0.536 HD11 ' HG3' ' A' 1874 ' ' LYS . 65.0 mt -60.75 -44.22 96.98 Favored 'General case' 0 C--N 1.332 -0.165 0 N-CA-C 111.893 0.331 . . . . 0.0 111.893 -177.648 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1886 ' ' ALA . . . . . . . . . . . . . . . -61.96 -46.69 88.2 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.086 0.47 . . . . 0.0 110.818 179.632 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1887 ' ' ASN . . . . . . . . . . . . . 43.3 m-80 -68.54 -27.09 65.78 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.682 178.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1888 ' ' GLN . . . . . . . . . . . . . 27.9 tp60 -68.64 -47.08 67.51 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.144 178.056 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1889 ' ' LEU . . . . . 0.506 HD22 ' SG ' ' A' 1927 ' ' CYS . 1.0 OUTLIER -58.29 -45.24 88.31 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.162 -0.681 . . . . 0.0 109.162 175.883 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A 1890 ' ' THR . . . . . . . . . . . . . 33.1 m -57.85 -43.65 86.02 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.229 -0.896 . . . . 0.0 111.249 179.703 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1891 ' ' SER . . . . . . . . . . . . . 29.1 t -62.41 -55.24 29.7 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.589 -178.102 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1892 ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -66.63 -35.27 79.77 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 111.85 0.315 . . . . 0.0 111.85 -175.328 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1893 ' ' TYR . . . . . . . . . . . . . 50.6 t80 -60.55 -37.51 81.49 Favored 'General case' 0 C--N 1.332 -0.19 0 C-N-CA 120.401 -0.519 . . . . 0.0 110.582 177.281 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1894 ' ' GLY . . . . . . . . . . . . . . . -57.85 -41.32 94.05 Favored Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 120.772 -0.728 . . . . 0.0 111.699 178.111 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1895 ' ' ARG . . . . . . . . . . . . . 77.8 ttt180 -66.37 -44.93 81.78 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.957 0.408 . . . . 0.0 110.399 177.032 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1896 ' ' LEU . . . . . 0.637 HD12 ' HB2' ' A' 1857 ' ' MET . 53.4 tp -56.84 -53.36 58.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.745 -0.661 . . . . 0.0 111.035 178.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1897 ' ' ALA . . . . . . . . . . . . . . . -64.57 -23.39 67.25 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.966 -179.515 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1898 ' ' SER . . . . . . . . . . . . . 47.0 t -76.85 -37.81 54.91 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.184 -178.129 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1899 ' ' GLN . . . . . . . . . . . . . 25.5 mm-40 -77.01 -21.27 54.9 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.88 0.371 . . . . 0.0 110.383 179.495 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1900 ' ' ALA . . . . . . . . . . . . . . . -64.28 -31.81 73.15 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.671 -0.695 . . . . 0.0 111.618 -179.157 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1901 ' ' LYS . . . . . 0.674 ' HB3' ' HD3' ' A' 1902 ' ' PRO . 2.0 tmtp? -71.29 -58.17 4.09 Favored Pre-proline 0 CA--C 1.54 0.572 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.261 -175.45 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1902 ' ' PRO . . . . . 0.674 ' HD3' ' HB3' ' A' 1901 ' ' LYS . 11.3 Cg_exo -71.39 -17.45 30.58 Favored 'Trans proline' 0 C--N 1.353 0.805 0 C-N-CA 122.087 1.858 . . . . 0.0 112.197 -177.42 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1903 ' ' ALA . . . . . . . . . . . . . . . -74.61 -35.02 62.94 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.979 0.419 . . . . 0.0 110.347 176.521 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1904 ' ' ALA . . . . . . . . . . . . . . . -73.15 -29.85 63.16 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.658 -177.366 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1905 ' ' VAL . . . . . 0.577 HG22 ' HA ' ' A' 1902 ' ' PRO . 32.6 m -89.93 -12.74 9.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.993 179.166 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1906 ' ' ALA . . . . . . . . . . . . . . . -82.72 -45.18 14.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.27 -0.423 . . . . 0.0 109.912 176.818 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1907 ' ' ALA . . . . . . . . . . . . . . . -67.77 131.29 45.27 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.635 178.427 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1908 ' ' GLU . . . . . 0.486 ' HG2' ' CB ' ' A' 1847 ' ' GLU . 10.1 pt-20 -91.55 -23.7 19.84 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.46 -178.786 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1909 ' ' ASN . . . . . . . . . . . . . 95.0 m-20 -74.66 135.84 41.92 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.929 -0.397 . . . . 0.0 109.929 177.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1910 ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -56.33 -53.81 52.86 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.483 -0.78 . . . . 0.0 112.617 -170.632 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1911 ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 -72.73 -32.03 65.39 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 112.783 0.661 . . . . 0.0 112.783 -171.502 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1912 ' ' ILE . . . . . 0.528 ' O ' HG13 ' A' 1916 ' ' ILE . 48.6 mt -54.15 -53.99 24.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 C-N-CA 120.741 -0.384 . . . . 0.0 110.513 -179.535 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1913 ' ' GLY . . . . . . . . . . . . . . . -69.79 -27.17 73.54 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.433 -179.283 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1914 ' ' ALA . . . . . . . . . . . . . . . -73.31 -47.52 41.99 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.56 0.219 . . . . 0.0 110.738 -179.038 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1915 ' ' HIS . . . . . 0.453 ' O ' ' HG2' ' A' 1919 ' ' ARG . 71.4 m-70 -59.11 -41.96 89.39 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.122 -177.668 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1916 ' ' ILE . . . . . 0.528 HG13 ' O ' ' A' 1912 ' ' ILE . 81.4 mt -53.93 -59.25 2.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.398 -178.683 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1917 ' ' LYS . . . . . 0.489 ' HA ' HG22 ' A' 1920 ' ' VAL . 8.8 mtmp? -67.88 -27.98 67.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.139 -177.179 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1918 ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -67.18 -39.79 86.46 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.084 177.337 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1919 ' ' ARG . . . . . 0.5 ' CD ' ' HB3' ' A' 1963 ' ' HIS . 29.9 mmt180 -81.53 -34.25 31.31 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 112.095 0.406 . . . . 0.0 112.095 -175.281 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1920 ' ' VAL . . . . . 0.489 HG22 ' HA ' ' A' 1917 ' ' LYS . 33.2 m -68.61 -24.35 29.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 C-N-CA 120.385 -0.526 . . . . 0.0 110.111 176.829 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1921 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.59 -41.0 98.38 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 115.971 -0.558 . . . . 0.0 109.536 175.059 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1922 ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -61.83 -46.36 89.83 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.392 177.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1923 ' ' LEU . . . . . 0.452 HD11 ' HA ' ' A' 1961 ' ' VAL . 19.9 mt -67.72 -23.31 65.25 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.109 178.765 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1924 ' ' GLY . . . . . . . . . . . . . . . -60.48 -51.89 55.96 Favored Glycine 0 N--CA 1.449 -0.45 0 C-N-CA 120.737 -0.744 . . . . 0.0 111.581 175.045 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1925 ' ' HIS . . . . . . . . . . . . . 81.2 m-70 -72.63 -28.08 62.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.751 0.31 . . . . 0.0 110.736 178.062 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1926 ' ' GLY . . . . . . . . . . . . . . . -70.68 -46.12 48.71 Favored Glycine 0 N--CA 1.449 -0.456 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.27 178.754 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1927 ' ' CYS . . . . . 0.506 ' SG ' HD22 ' A' 1889 ' ' LEU . 43.7 t -62.1 -50.21 72.85 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.602 0.239 . . . . 0.0 110.421 178.853 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1928 ' ' SER . . . . . 0.426 ' HA ' HG22 ' A' 1931 ' ' VAL . 10.8 p -61.19 -38.61 87.15 Favored 'General case' 0 N--CA 1.452 -0.338 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.081 -178.529 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1929 ' ' ALA . . . . . . . . . . . . . . . -61.59 -49.93 74.64 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.786 0.327 . . . . 0.0 110.623 176.745 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1930 ' ' LEU . . . . . 0.458 HD23 ' HA ' ' A' 1930 ' ' LEU . 10.8 mt -62.53 -49.5 75.08 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.976 -178.74 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1931 ' ' VAL . . . . . 0.426 HG22 ' HA ' ' A' 1928 ' ' SER . 22.8 m -64.76 -31.89 55.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 C-N-CA 120.911 -0.316 . . . . 0.0 111.273 -175.621 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1932 ' ' THR . . . . . . . . . . . . . 63.8 m -71.53 -44.99 63.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.495 -0.321 . . . . 0.0 110.471 177.842 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1933 ' ' LYS . . . . . 0.425 ' HD3' ' HA ' ' A' 1933 ' ' LYS . 70.9 mmtt -71.13 -35.37 71.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.212 -179.774 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1934 ' ' ALA . . . . . . . . . . . . . . . -62.83 -47.85 81.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.858 0.361 . . . . 0.0 110.255 176.338 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1935 ' ' GLY . . . . . . . . . . . . . . . -64.4 -37.61 94.7 Favored Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 120.79 -0.719 . . . . 0.0 111.795 177.071 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1936 ' ' ALA . . . . . . . . . . . . . . . -65.49 -43.76 89.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.646 0.26 . . . . 0.0 110.991 178.312 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1937 ' ' LEU . . . . . 0.405 ' HB2' HG22 ' A' 1946 ' ' THR . 46.8 tp -67.52 -34.67 77.57 Favored 'General case' 0 CA--C 1.513 -0.466 0 CA-C-O 120.882 0.372 . . . . 0.0 110.37 178.73 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1938 ' ' GLN . . . . . 0.412 ' HG3' ' HA ' ' A' 1880 ' ' GLU . 32.2 tt0 -62.05 -31.4 71.81 Favored 'General case' 0 N--CA 1.446 -0.643 0 CA-C-O 121.127 0.489 . . . . 0.0 110.231 179.219 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1939 ' ' CYS . . . . . . . . . . . . . 55.7 m -85.91 -16.98 36.78 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.016 179.378 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1940 ' ' SER . . . . . . . . . . . . . 60.1 m -150.92 78.97 7.17 Favored Pre-proline 0 C--N 1.326 -0.447 0 CA-C-O 120.918 0.39 . . . . 0.0 111.352 -177.845 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1941 ' ' PRO . . . . . . . . . . . . . 11.6 Cg_exo -74.09 -10.65 22.92 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 123.225 2.617 . . . . 0.0 112.033 -179.413 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1942 ' ' SER . . . . . . . . . . . . . 40.9 t -74.82 -23.76 58.52 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.09 178.139 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1943 ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -79.89 110.59 15.4 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.814 -178.929 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1944 ' ' VAL . . . . . 0.64 ' O ' ' HG3' ' A' 1948 ' ' LYS . 10.4 p -72.62 -32.21 40.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 N-CA-C 109.072 -0.714 . . . . 0.0 109.072 176.644 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1945 ' ' TYR . . . . . 0.495 ' O ' ' HG3' ' A' 1949 ' ' GLU . 49.5 m-85 -58.81 -51.29 70.62 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.307 -0.861 . . . . 0.0 110.101 179.741 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1946 ' ' THR . . . . . 0.405 HG22 ' HB2' ' A' 1937 ' ' LEU . 78.2 m -60.86 -42.15 97.3 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.352 -0.84 . . . . 0.0 111.089 178.595 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1947 ' ' LYS . . . . . . . . . . . . . 36.3 ttpt -63.08 -51.49 66.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.967 -178.923 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1948 ' ' LYS . . . . . 0.64 ' HG3' ' O ' ' A' 1944 ' ' VAL . 7.4 mtpm? -61.49 -35.92 79.02 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.992 -174.416 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1949 ' ' GLU . . . . . 0.495 ' HG3' ' O ' ' A' 1945 ' ' TYR . 41.5 mt-10 -58.19 -30.03 66.12 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.014 0.435 . . . . 0.0 110.663 178.094 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1950 ' ' LEU . . . . . . . . . . . . . 8.2 tt -70.18 -47.64 60.65 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.974 -0.557 . . . . 0.0 109.512 177.184 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1951 ' ' ILE . . . . . 0.55 ' HA ' HG12 ' A' 1872 ' ' VAL . 3.1 mp -61.0 -50.19 81.63 Favored 'Isoleucine or valine' 0 C--O 1.235 0.327 0 CA-C-O 121.073 0.463 . . . . 0.0 110.418 177.525 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1952 ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -65.08 -23.6 67.21 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.415 -0.811 . . . . 0.0 111.557 -175.855 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1953 ' ' CYS . . . . . . . . . . . . . 47.4 t -86.97 -43.95 11.98 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.557 0.217 . . . . 0.0 111.199 179.669 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1954 ' ' ALA . . . . . 0.494 ' HA ' HG22 ' A' 1957 ' ' VAL . . . -63.11 -40.1 96.64 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 112.266 0.469 . . . . 0.0 112.266 -174.485 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1955 ' ' ARG . . . . . . . . . . . . . 6.9 ppt_? -65.89 -22.98 66.55 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 120.709 -0.396 . . . . 0.0 110.967 178.536 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1956 ' ' ARG . . . . . . . . . . . . . 78.9 mtp180 -81.07 -44.42 18.03 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.22 176.684 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1957 ' ' VAL . . . . . 0.553 ' O ' HG13 ' A' 1961 ' ' VAL . 14.1 m -67.48 -22.61 28.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 C-N-CA 120.994 -0.282 . . . . 0.0 111.168 -177.152 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1958 ' ' SER . . . . . 0.639 ' O ' HG22 ' A' 1961 ' ' VAL . 30.3 t -61.88 -23.99 66.65 Favored 'General case' 0 CA--C 1.534 0.34 0 CA-C-O 121.057 0.456 . . . . 0.0 110.065 175.896 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1959 ' ' GLU . . . . . . . . . . . . . 35.0 mm-40 -80.57 -35.48 34.22 Favored 'General case' 0 C--N 1.327 -0.406 0 O-C-N 122.014 -0.429 . . . . 0.0 110.839 173.882 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1960 ' ' LYS . . . . . . . . . . . . . 93.4 mttt -64.72 -34.17 77.69 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.307 179.846 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1961 ' ' VAL . . . . . 0.868 HG21 ' HB2' ' A' 1865 ' ' ALA . 3.8 m -69.03 -32.85 55.99 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-O 121.076 0.465 . . . . 0.0 109.979 175.726 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1962 ' ' SER . . . . . 0.543 ' HA ' HD12 ' A' 1965 ' ' LEU . 32.7 t -71.56 -26.32 62.58 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-N 115.739 -0.664 . . . . 0.0 109.585 178.433 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1963 ' ' HIS . . . . . 0.5 ' HB3' ' CD ' ' A' 1919 ' ' ARG . 66.8 m170 -69.55 -34.51 74.31 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.711 -0.677 . . . . 0.0 109.992 177.611 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1964 ' ' VAL . . . . . 0.561 HG11 HD11 ' A' 1896 ' ' LEU . 96.3 t -63.37 -44.43 98.99 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.198 0 N-CA-C 109.444 -0.576 . . . . 0.0 109.444 172.827 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1965 ' ' LEU . . . . . 0.543 HD12 ' HA ' ' A' 1962 ' ' SER . 61.0 mt -55.59 -47.7 76.06 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.467 -0.788 . . . . 0.0 110.727 179.596 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1966 ' ' ALA . . . . . . . . . . . . . . . -68.55 -44.77 73.8 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.575 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1967 ' ' ALA . . . . . . . . . . . . . . . -57.74 -47.46 82.38 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.679 -178.214 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1968 ' ' LEU . . . . . 0.864 ' HB3' ' HG3' ' A' 1854 ' ' GLN . 4.4 mm? -72.08 -37.82 69.52 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.441 -177.831 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1969 ' ' GLN . . . . . . . . . . . . . 48.1 mt-30 -83.53 26.44 0.67 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.849 0.357 . . . . 0.0 111.166 -178.91 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1970 ' ' ALA . . . . . . . . . . . . . . . -65.87 -32.48 74.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.83 177.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1971 ' ' GLY . . . . . . . . . . . . . . . -81.09 59.99 4.72 Favored Glycine 0 N--CA 1.449 -0.469 0 C-N-CA 120.957 -0.64 . . . . 0.0 111.984 178.875 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1972 ' ' ASN . . . . . . . . . . . . . 28.3 t-20 -71.03 -27.89 63.99 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.102 0.477 . . . . 0.0 110.349 -179.807 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1973 ' ' ARG . . . . . . . . . . . . . 41.6 ttm180 . . . . . 0 C--O 1.25 1.117 0 CA-C-N 115.725 -0.671 . . . . 0.0 109.664 175.88 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A 1837 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.826 0 N-CA-C 112.061 -0.416 . . . . 0.0 112.061 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A 1838 ' ' ILE . . . . . . . . . . . . . 50.9 mm 60.74 94.06 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.465 0.289 0 CA-C-O 121.21 0.529 . . . . 0.0 111.058 -178.204 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1839 ' ' ASP . . . . . 0.415 ' HA ' ' HD3' ' A' 1840 ' ' PRO . 38.3 m-20 -104.88 154.0 38.95 Favored Pre-proline 0 C--N 1.322 -0.611 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.435 -178.867 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1840 ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' A' 1839 ' ' ASP . 6.4 Cg_exo -75.95 38.68 0.6 Allowed 'Trans proline' 0 CA--C 1.531 0.332 0 C-N-CA 123.266 2.644 . . . . 0.0 111.904 176.093 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1841 ' ' PHE . . . . . 0.568 ' HA ' ' HG3' ' A' 1846 ' ' PRO . 97.4 m-85 -134.12 154.06 51.44 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.736 -0.666 . . . . 0.0 109.396 179.004 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1842 ' ' THR . . . . . . . . . . . . . 34.9 p -136.91 -85.03 0.33 Allowed 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.744 0.307 . . . . 0.0 110.975 179.764 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1843 ' ' MET . . . . . . . . . . . . . 60.4 mtm -84.85 57.5 4.44 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.111 -0.699 . . . . 0.0 109.111 176.441 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1844 ' ' GLY . . . . . . . . . . . . . . . 73.99 -92.12 0.72 Allowed Glycine 0 N--CA 1.445 -0.737 0 N-CA-C 110.049 -1.22 . . . . 0.0 110.049 -169.401 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1845 ' ' ASP . . . . . 0.465 ' HA ' ' HD3' ' A' 1846 ' ' PRO . 0.4 OUTLIER -99.63 126.03 38.67 Favored Pre-proline 0 C--N 1.321 -0.652 0 CA-C-O 120.775 0.321 . . . . 0.0 110.257 174.414 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A 1846 ' ' PRO . . . . . 0.568 ' HG3' ' HA ' ' A' 1841 ' ' PHE . 7.9 Cg_exo -74.32 -155.31 0.05 OUTLIER 'Trans proline' 0 N--CA 1.461 -0.39 0 C-N-CA 122.976 2.45 . . . . 0.0 111.677 175.546 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1847 ' ' GLU . . . . . . . . . . . . . 2.0 pm0 -88.51 16.16 6.93 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.95 0.405 . . . . 0.0 110.598 -177.246 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1848 ' ' GLY . . . . . . . . . . . . . . . -75.64 48.95 2.33 Favored Glycine 0 CA--C 1.521 0.45 0 CA-C-N 115.735 -0.666 . . . . 0.0 113.732 -174.47 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1849 ' ' SER . . . . . . . . . . . . . 8.5 t -140.18 -50.33 0.47 Allowed 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 109.148 -0.686 . . . . 0.0 109.148 174.929 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1850 ' ' PHE . . . . . 0.408 ' HA ' ' HD2' ' A' 1853 ' ' TYR . 75.3 t80 -59.53 -30.62 68.72 Favored 'General case' 0 C--O 1.232 0.149 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.444 174.64 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1851 ' ' VAL . . . . . . . . . . . . . 26.8 m -59.46 -23.97 26.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.931 -179.154 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1852 ' ' ASP . . . . . . . . . . . . . 33.9 t70 -71.97 -49.77 34.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.768 0.318 . . . . 0.0 110.157 179.224 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1853 ' ' TYR . . . . . 0.614 ' O ' ' HG2' ' A' 1857 ' ' MET . 39.8 m-85 -61.39 -42.81 99.32 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 109.198 -0.667 . . . . 0.0 109.198 176.178 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1854 ' ' GLN . . . . . 0.806 ' HG3' ' HB3' ' A' 1968 ' ' LEU . 27.4 tt0 -48.84 -60.05 3.07 Favored 'General case' 0 CA--C 1.521 -0.146 0 CA-C-N 115.239 -0.892 . . . . 0.0 110.388 174.879 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1855 ' ' THR . . . . . 0.605 ' O ' ' HG2' ' A' 1859 ' ' ARG . 34.8 m -54.69 -37.77 66.19 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.281 -178.501 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1856 ' ' THR . . . . . 0.474 HG22 ' N ' ' A' 1857 ' ' MET . 1.0 OUTLIER -68.01 -57.77 5.6 Favored 'General case' 0 N--CA 1.445 -0.681 0 N-CA-C 112.239 0.459 . . . . 0.0 112.239 -177.576 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A 1857 ' ' MET . . . . . 0.614 ' HG2' ' O ' ' A' 1853 ' ' TYR . 9.6 ptm -78.88 -18.18 54.36 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 111.966 0.358 . . . . 0.0 111.966 -170.648 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1858 ' ' VAL . . . . . 0.414 HG22 ' O ' ' A' 1854 ' ' GLN . 33.6 m -71.73 -33.82 49.87 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.174 0 C-N-CA 119.628 -0.829 . . . . 0.0 109.504 171.257 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1859 ' ' ARG . . . . . 0.605 ' HG2' ' O ' ' A' 1855 ' ' THR . 9.7 mmm180 -65.77 -39.65 91.25 Favored 'General case' 0 CA--C 1.52 -0.189 0 N-CA-C 109.396 -0.594 . . . . 0.0 109.396 173.663 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1860 ' ' THR . . . . . 0.417 HG23 ' HD3' ' A' 1895 ' ' ARG . 6.6 m -61.51 -46.14 91.24 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.503 176.552 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1861 ' ' ALA . . . . . . . . . . . . . . . -59.25 -45.19 91.86 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.842 178.019 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1862 ' ' LYS . . . . . . . . . . . . . 53.9 mttm -62.27 -39.09 91.76 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.527 177.374 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1863 ' ' ALA . . . . . . . . . . . . . . . -65.32 -44.54 87.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.531 178.725 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1864 ' ' ILE . . . . . . . . . . . . . 75.0 mt -61.29 -43.14 95.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 116.228 -0.442 . . . . 0.0 109.949 175.189 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1865 ' ' ALA . . . . . 0.915 ' HB2' HG21 ' A' 1961 ' ' VAL . . . -58.65 -50.07 75.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.655 179.494 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1866 ' ' VAL . . . . . 0.573 ' O ' ' HG3' ' A' 1870 ' ' GLU . 13.3 p -67.89 -32.54 56.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 C-N-CA 120.572 -0.451 . . . . 0.0 110.448 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1867 ' ' THR . . . . . 0.666 ' O ' ' HG3' ' A' 1871 ' ' MET . 91.9 m -65.51 -53.17 46.26 Favored 'General case' 0 N--CA 1.452 -0.328 0 C-N-CA 120.957 -0.297 . . . . 0.0 110.384 177.506 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1868 ' ' VAL . . . . . 0.555 ' HA ' ' SD ' ' A' 1871 ' ' MET . 30.5 m -63.07 -33.85 63.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.785 -177.475 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1869 ' ' GLN . . . . . 0.555 ' O ' HG22 ' A' 1872 ' ' VAL . 2.4 pt20 -76.58 -24.75 53.51 Favored 'General case' 0 N--CA 1.451 -0.401 0 C-N-CA 120.752 -0.379 . . . . 0.0 110.303 179.713 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1870 ' ' GLU . . . . . 0.573 ' HG3' ' O ' ' A' 1866 ' ' VAL . 30.6 mt-10 -70.4 -38.2 74.62 Favored 'General case' 0 CA--C 1.516 -0.347 0 N-CA-C 109.713 -0.477 . . . . 0.0 109.713 172.042 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1871 ' ' MET . . . . . 0.666 ' HG3' ' O ' ' A' 1867 ' ' THR . 39.3 mtp -58.68 -39.76 81.61 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.841 -179.165 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1872 ' ' VAL . . . . . 1.079 ' HB ' HG13 ' A' 1951 ' ' ILE . 1.9 m -73.57 -29.19 26.38 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.301 0 CA-C-O 121.387 0.613 . . . . 0.0 110.642 179.621 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1873 ' ' THR . . . . . . . . . . . . . 54.2 m -80.21 -45.3 18.26 Favored 'General case' 0 C--N 1.315 -0.933 0 CA-C-N 115.194 -0.912 . . . . 0.0 111.097 -177.283 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1874 ' ' LYS . . . . . 0.408 ' HG3' HD11 ' A' 1885 ' ' LEU . 72.3 mmtt -64.68 -40.75 95.93 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.961 -179.005 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1875 ' ' SER . . . . . 0.491 ' HB3' HD11 ' A' 1882 ' ' LEU . 5.5 p -58.64 -16.03 14.32 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 112.861 0.689 . . . . 0.0 112.861 -173.562 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1876 ' ' ASN . . . . . . . . . . . . . 90.7 m-20 -77.66 -16.07 58.76 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 111.488 0.181 . . . . 0.0 111.488 -179.735 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1877 ' ' THR . . . . . . . . . . . . . 13.6 p -141.91 -46.86 0.36 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.299 0.571 . . . . 0.0 111.381 -179.474 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1878 ' ' SER . . . . . . . . . . . . . 73.5 m -110.19 101.55 48.2 Favored Pre-proline 0 C--N 1.321 -0.643 0 CA-C-N 115.466 -0.788 . . . . 0.0 111.442 -176.038 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1879 ' ' PRO . . . . . 0.945 ' HA ' HD12 ' A' 1882 ' ' LEU . 43.3 Cg_endo -88.19 -12.49 4.01 Favored 'Trans proline' 0 N--CA 1.443 -1.473 0 C-N-CA 121.47 1.446 . . . . 0.0 111.37 173.879 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1880 ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -75.69 -39.03 58.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.171 179.224 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1881 ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -67.98 -12.68 61.22 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.299 0.571 . . . . 0.0 110.808 -178.777 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1882 ' ' LEU . . . . . 0.945 HD12 ' HA ' ' A' 1879 ' ' PRO . 0.5 OUTLIER -72.72 -15.84 61.67 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.366 -0.834 . . . . 0.0 112.056 -177.941 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A 1883 ' ' GLY . . . . . . . . . . . . . . . -66.3 -60.83 5.94 Favored Glycine 0 CA--C 1.519 0.29 0 C-N-CA 120.684 -0.77 . . . . 0.0 111.944 177.357 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1884 ' ' PRO . . . . . . . . . . . . . 47.1 Cg_exo -56.8 -36.03 98.4 Favored 'Trans proline' 0 C--N 1.349 0.578 0 C-N-CA 122.599 2.199 . . . . 0.0 112.315 175.718 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1885 ' ' LEU . . . . . 0.408 HD11 ' HG3' ' A' 1874 ' ' LYS . 41.9 mt -64.03 -43.03 96.82 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.597 0.237 . . . . 0.0 111.43 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1886 ' ' ALA . . . . . . . . . . . . . . . -61.55 -45.27 94.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.939 0.4 . . . . 0.0 110.419 177.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1887 ' ' ASN . . . . . . . . . . . . . 34.1 t-20 -63.72 -38.28 90.54 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.985 -0.552 . . . . 0.0 109.814 177.464 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1888 ' ' GLN . . . . . . . . . . . . . 36.0 tp60 -61.31 -49.62 76.29 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.74 -179.721 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1889 ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -57.23 -47.3 81.67 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.399 0.619 . . . . 0.0 109.365 176.801 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1890 ' ' THR . . . . . . . . . . . . . 55.1 m -58.42 -43.94 88.88 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.054 -0.975 . . . . 0.0 111.541 -178.923 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1891 ' ' SER . . . . . . . . . . . . . 9.1 t -69.79 -40.41 76.03 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.357 -175.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1892 ' ' ASP . . . . . 0.458 ' O ' ' HB3' ' A' 1895 ' ' ARG . 0.5 OUTLIER -79.98 -24.84 40.64 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 112.404 0.52 . . . . 0.0 112.404 -176.699 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A 1893 ' ' TYR . . . . . . . . . . . . . 30.2 t80 -61.2 -44.3 97.51 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 119.938 -0.705 . . . . 0.0 110.224 174.561 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1894 ' ' GLY . . . . . . . . . . . . . . . -59.29 -37.88 92.51 Favored Glycine 0 C--N 1.332 0.353 0 C-N-CA 120.677 -0.773 . . . . 0.0 111.474 177.261 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1895 ' ' ARG . . . . . 0.458 ' HB3' ' O ' ' A' 1892 ' ' ASP . 62.6 ttt180 -58.9 -52.92 63.66 Favored 'General case' 0 C--N 1.325 -0.494 0 C-N-CA 122.886 0.475 . . . . 0.0 110.438 174.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1896 ' ' LEU . . . . . 0.486 HD21 HG21 ' A' 1964 ' ' VAL . 62.1 tp -61.1 -47.54 85.82 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.646 -0.706 . . . . 0.0 111.384 -179.465 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1897 ' ' ALA . . . . . . . . . . . . . . . -64.38 -24.61 67.7 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.872 -176.741 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1898 ' ' SER . . . . . . . . . . . . . 71.2 m -81.93 -27.64 33.21 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.753 0.311 . . . . 0.0 110.655 -177.877 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1899 ' ' GLN . . . . . 0.413 ' HG2' ' O ' ' A' 1895 ' ' ARG . 82.2 mm-40 -79.72 -14.21 58.9 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.329 -179.899 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1900 ' ' ALA . . . . . . . . . . . . . . . -68.23 -27.09 66.06 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.668 -0.697 . . . . 0.0 111.089 179.59 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1901 ' ' LYS . . . . . 0.489 ' HB3' ' HD3' ' A' 1902 ' ' PRO . 78.6 tttt -74.31 -58.58 1.87 Allowed Pre-proline 0 CA--C 1.538 0.516 0 C-N-CA 120.918 -0.313 . . . . 0.0 111.762 -177.697 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1902 ' ' PRO . . . . . 0.489 ' HD3' ' HB3' ' A' 1901 ' ' LYS . 37.9 Cg_endo -66.65 -22.6 50.33 Favored 'Trans proline' 0 C--N 1.357 1.019 0 C-N-CA 121.993 1.795 . . . . 0.0 112.27 -178.2 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1903 ' ' ALA . . . . . . . . . . . . . . . -75.15 -36.61 61.55 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.707 177.698 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1904 ' ' ALA . . . . . . . . . . . . . . . -69.06 -35.05 76.12 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.071 0.462 . . . . 0.0 110.578 -176.007 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1905 ' ' VAL . . . . . . . . . . . . . 31.0 m -85.14 -22.98 7.36 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-N 115.715 -0.675 . . . . 0.0 111.511 -178.495 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1906 ' ' ALA . . . . . . . . . . . . . . . -92.54 -4.96 52.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.88 0.371 . . . . 0.0 111.106 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1907 ' ' ALA . . . . . 0.438 ' HB1' ' HB ' ' A' 1912 ' ' ILE . . . -67.71 144.58 55.39 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.692 178.944 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1908 ' ' GLU . . . . . . . . . . . . . 16.7 mp0 -77.74 -24.38 49.07 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.575 -178.623 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1909 ' ' ASN . . . . . . . . . . . . . 63.6 m-20 -129.32 157.27 42.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.934 -0.575 . . . . 0.0 111.046 -178.278 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1910 ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -56.36 -54.13 49.13 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.715 -0.675 . . . . 0.0 111.356 178.613 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1911 ' ' GLU . . . . . . . . . . . . . 30.5 mt-10 -60.28 -39.24 86.2 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.718 -0.674 . . . . 0.0 111.843 -172.683 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1912 ' ' ILE . . . . . 0.502 ' O ' HG13 ' A' 1916 ' ' ILE . 63.4 mt -54.53 -53.2 33.21 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 O-C-N 123.267 0.354 . . . . 0.0 110.282 -179.071 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1913 ' ' GLY . . . . . . . . . . . . . . . -74.01 -31.49 59.79 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.812 -0.709 . . . . 0.0 112.432 -179.34 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1914 ' ' ALA . . . . . . . . . . . . . . . -68.81 -49.25 60.12 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.762 0.315 . . . . 0.0 110.382 -178.898 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1915 ' ' HIS . . . . . 0.652 ' O ' ' HG2' ' A' 1919 ' ' ARG . 66.2 m-70 -55.17 -42.78 73.59 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.574 -179.051 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1916 ' ' ILE . . . . . 0.502 HG13 ' O ' ' A' 1912 ' ' ILE . 96.1 mt -52.25 -53.11 20.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 115.729 -0.669 . . . . 0.0 111.109 178.061 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1917 ' ' LYS . . . . . . . . . . . . . 52.2 mtmt -67.72 -28.3 67.54 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.785 -0.643 . . . . 0.0 111.715 -175.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1918 ' ' HIS . . . . . . . . . . . . . 65.3 m80 -74.08 -36.86 64.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.911 0.386 . . . . 0.0 110.518 176.841 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1919 ' ' ARG . . . . . 0.652 ' HG2' ' O ' ' A' 1915 ' ' HIS . 25.1 mmt180 -73.06 -40.79 64.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.688 -176.037 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1920 ' ' VAL . . . . . . . . . . . . . 27.6 m -68.06 -24.23 29.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 121.204 0.526 . . . . 0.0 110.21 177.23 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1921 ' ' GLN . . . . . . . . . . . . . 48.5 tp60 -70.24 -33.72 71.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.787 -0.642 . . . . 0.0 109.968 177.868 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1922 ' ' GLU . . . . . 0.427 ' HB3' ' HG2' ' A' 1960 ' ' LYS . 39.4 mt-10 -62.22 -46.01 90.8 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 121.203 0.525 . . . . 0.0 110.237 176.098 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1923 ' ' LEU . . . . . 0.574 ' HG ' ' HB3' ' A' 1960 ' ' LYS . 25.2 mt -65.93 -23.23 66.58 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.54 -0.755 . . . . 0.0 111.905 -177.903 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1924 ' ' GLY . . . . . . . . . . . . . . . -53.97 -52.91 39.99 Favored Glycine 0 C--O 1.23 -0.15 0 C-N-CA 120.89 -0.672 . . . . 0.0 112.673 -179.284 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1925 ' ' HIS . . . . . . . . . . . . . 31.1 m80 -79.41 -21.09 46.08 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.816 0.341 . . . . 0.0 110.891 -178.693 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1926 ' ' GLY . . . . . . . . . . . . . . . -76.62 -44.11 16.86 Favored Glycine 0 N--CA 1.449 -0.444 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.513 -178.474 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1927 ' ' CYS . . . . . . . . . . . . . 60.2 m -65.48 -43.74 89.29 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.644 0.259 . . . . 0.0 110.611 -179.268 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1928 ' ' SER . . . . . . . . . . . . . 21.0 p -62.94 -39.39 94.47 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.13 -178.045 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1929 ' ' ALA . . . . . . . . . . . . . . . -67.93 -41.81 82.01 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.817 178.46 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1930 ' ' LEU . . . . . 0.516 ' HG ' ' HB3' ' A' 1953 ' ' CYS . 0.4 OUTLIER -66.0 -50.86 62.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.898 -177.389 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A 1931 ' ' VAL . . . . . . . . . . . . . 33.0 m -62.34 -27.97 43.71 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.17 0 CA-C-O 120.792 0.33 . . . . 0.0 111.136 -176.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1932 ' ' THR . . . . . . . . . . . . . 89.5 m -66.43 -46.59 75.98 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.376 175.424 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1933 ' ' LYS . . . . . . . . . . . . . 32.9 mmtp -72.04 -31.33 66.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.979 -178.555 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1934 ' ' ALA . . . . . . . . . . . . . . . -59.15 -50.2 74.96 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.97 0.414 . . . . 0.0 110.194 174.914 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1935 ' ' GLY . . . . . . . . . . . . . . . -67.82 -39.36 89.83 Favored Glycine 0 N--CA 1.448 -0.522 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.145 177.655 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1936 ' ' ALA . . . . . . . . . . . . . . . -61.07 -46.75 89.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.559 0.218 . . . . 0.0 111.186 179.569 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1937 ' ' LEU . . . . . 0.431 ' HB2' HG22 ' A' 1946 ' ' THR . 25.2 tp -67.12 -35.13 79.08 Favored 'General case' 0 CA--C 1.511 -0.537 0 CA-C-O 120.918 0.389 . . . . 0.0 110.412 178.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1938 ' ' GLN . . . . . 0.428 ' HG3' ' O ' ' A' 1879 ' ' PRO . 35.4 tt0 -62.19 -31.53 72.06 Favored 'General case' 0 N--CA 1.444 -0.732 0 CA-C-O 121.285 0.564 . . . . 0.0 110.022 179.54 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1939 ' ' CYS . . . . . . . . . . . . . 56.2 m -86.35 -17.45 34.46 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.007 178.297 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1940 ' ' SER . . . . . . . . . . . . . 6.4 m -136.01 72.81 60.31 Favored Pre-proline 0 C--N 1.326 -0.415 0 CA-C-N 116.589 -0.278 . . . . 0.0 110.808 -177.165 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1941 ' ' PRO . . . . . . . . . . . . . 11.8 Cg_exo -72.32 -14.13 28.19 Favored 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.836 2.357 . . . . 0.0 112.425 -176.205 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1942 ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -90.4 -1.42 57.91 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.431 -179.706 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1943 ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -104.63 106.38 16.85 Favored 'General case' 0 CA--C 1.516 -0.347 0 CA-C-O 121.075 0.464 . . . . 0.0 111.349 179.759 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1944 ' ' VAL . . . . . 0.431 ' O ' ' HG2' ' A' 1948 ' ' LYS . 9.4 p -69.25 -25.21 28.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.028 177.553 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1945 ' ' TYR . . . . . . . . . . . . . 84.9 m-85 -55.21 -46.9 75.92 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.344 -0.844 . . . . 0.0 110.846 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1946 ' ' THR . . . . . 0.431 HG22 ' HB2' ' A' 1937 ' ' LEU . 32.8 m -68.56 -38.37 80.7 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.693 179.56 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1947 ' ' LYS . . . . . . . . . . . . . 13.6 ttpp -63.14 -43.31 98.7 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.56 -178.481 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1948 ' ' LYS . . . . . 0.431 ' HG2' ' O ' ' A' 1944 ' ' VAL . 7.5 mmpt? -53.13 -51.66 61.22 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 121.11 0.481 . . . . 0.0 110.532 -179.843 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1949 ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 -64.94 -28.96 69.88 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.289 -0.869 . . . . 0.0 111.537 -175.864 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1950 ' ' LEU . . . . . 0.483 HD11 HD22 ' A' 1882 ' ' LEU . 6.2 tt -64.45 -52.12 59.65 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.533 -0.543 . . . . 0.0 109.533 178.363 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1951 ' ' ILE . . . . . 1.079 HG13 ' HB ' ' A' 1872 ' ' VAL . 2.0 mp -62.81 -44.45 99.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 115.976 -0.556 . . . . 0.0 109.996 177.122 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1952 ' ' GLU . . . . . . . . . . . . . 24.2 mm-40 -56.2 -38.0 70.4 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.762 -0.654 . . . . 0.0 112.042 179.718 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1953 ' ' CYS . . . . . 0.516 ' HB3' ' HG ' ' A' 1930 ' ' LEU . 9.1 t -75.89 -38.92 57.33 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 120.646 0.26 . . . . 0.0 110.819 -177.626 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1954 ' ' ALA . . . . . 0.57 ' HA ' HG22 ' A' 1957 ' ' VAL . . . -66.5 -44.12 83.48 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 111.805 0.298 . . . . 0.0 111.805 -176.88 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1955 ' ' ARG . . . . . 0.45 ' HG2' ' O ' ' A' 1951 ' ' ILE . 3.7 ptp180 -62.82 -24.41 67.75 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.114 0.483 . . . . 0.0 110.733 178.616 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1956 ' ' ARG . . . . . . . . . . . . . 65.2 mtp180 -80.22 -48.46 13.07 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.877 176.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1957 ' ' VAL . . . . . 0.57 HG22 ' HA ' ' A' 1954 ' ' ALA . 20.6 m -67.26 -29.05 44.56 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 C-N-CA 121.038 -0.265 . . . . 0.0 111.551 -176.94 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1958 ' ' SER . . . . . 0.702 ' O ' HG22 ' A' 1961 ' ' VAL . 20.4 t -64.84 -23.97 67.4 Favored 'General case' 0 CA--C 1.532 0.282 0 CA-C-O 121.039 0.447 . . . . 0.0 110.258 178.74 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1959 ' ' GLU . . . . . . . . . . . . . 78.5 mm-40 -71.26 -39.34 71.65 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 121.739 -0.6 . . . . 0.0 109.997 173.096 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1960 ' ' LYS . . . . . 0.574 ' HB3' ' HG ' ' A' 1923 ' ' LEU . 2.9 mptp? -66.78 -35.53 80.28 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.551 179.614 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1961 ' ' VAL . . . . . 0.915 HG21 ' HB2' ' A' 1865 ' ' ALA . 2.4 m -67.03 -32.79 59.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 N-CA-C 109.365 -0.605 . . . . 0.0 109.365 175.938 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1962 ' ' SER . . . . . 0.552 ' HA ' HD12 ' A' 1965 ' ' LEU . 42.8 m -71.87 -26.57 62.4 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-N 115.598 -0.728 . . . . 0.0 109.927 176.188 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1963 ' ' HIS . . . . . 0.531 ' HB3' ' CD ' ' A' 1919 ' ' ARG . 65.9 m170 -70.55 -32.5 69.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.006 176.268 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1964 ' ' VAL . . . . . 0.486 HG21 HD21 ' A' 1896 ' ' LEU . 95.5 t -65.21 -43.75 95.36 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.144 0 N-CA-C 108.946 -0.761 . . . . 0.0 108.946 173.521 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1965 ' ' LEU . . . . . 0.552 HD12 ' HA ' ' A' 1962 ' ' SER . 65.8 mt -59.45 -33.79 71.72 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.239 -0.892 . . . . 0.0 110.809 177.672 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1966 ' ' ALA . . . . . . . . . . . . . . . -76.81 -48.02 19.77 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.345 179.585 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1967 ' ' ALA . . . . . . . . . . . . . . . -60.99 -46.34 91.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.917 -177.15 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1968 ' ' LEU . . . . . 0.806 ' HB3' ' HG3' ' A' 1854 ' ' GLN . 4.2 mm? -67.43 -32.14 72.8 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.764 0.316 . . . . 0.0 111.535 -177.93 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1969 ' ' GLN . . . . . . . . . . . . . 48.6 mt-30 -96.26 20.67 10.03 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.989 0.424 . . . . 0.0 110.905 -178.227 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1970 ' ' ALA . . . . . . . . . . . . . . . -87.14 -0.45 56.7 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.71 178.228 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1971 ' ' GLY . . . . . 0.418 ' O ' ' HB2' ' A' 1972 ' ' ASN . . . -78.17 109.61 2.86 Favored Glycine 0 N--CA 1.446 -0.685 0 C-N-CA 120.899 -0.667 . . . . 0.0 111.979 179.222 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1972 ' ' ASN . . . . . 0.418 ' HB2' ' O ' ' A' 1971 ' ' GLY . 36.7 m-80 69.95 168.17 0.3 Allowed 'General case' 0 N--CA 1.465 0.31 0 C-N-CA 122.954 0.501 . . . . 0.0 111.097 -178.305 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1973 ' ' ARG . . . . . . . . . . . . . 18.6 ptp180 . . . . . 0 C--O 1.245 0.852 0 CA-C-O 118.634 -0.698 . . . . 0.0 110.009 178.775 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A 1837 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.778 0 N-CA-C 111.946 -0.462 . . . . 0.0 111.946 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A 1838 ' ' ILE . . . . . . . . . . . . . 9.3 tt -164.23 129.54 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-O 121.1 0.476 . . . . 0.0 110.838 178.032 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1839 ' ' ASP . . . . . . . . . . . . . 18.5 t70 -64.78 131.77 95.25 Favored Pre-proline 0 C--N 1.323 -0.553 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.263 178.708 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1840 ' ' PRO . . . . . . . . . . . . . 80.4 Cg_endo -80.18 -2.21 11.88 Favored 'Trans proline' 0 N--CA 1.463 -0.292 0 C-N-CA 122.772 2.314 . . . . 0.0 113.287 -171.854 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1841 ' ' PHE . . . . . . . . . . . . . 1.3 t80 -95.34 -6.06 42.01 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.017 0.437 . . . . 0.0 110.139 -179.024 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1842 ' ' THR . . . . . . . . . . . . . 67.5 p -84.19 -53.56 5.43 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.487 -176.901 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1843 ' ' MET . . . . . . . . . . . . . 66.3 mtt -105.42 151.74 23.85 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.067 0.46 . . . . 0.0 111.508 -176.545 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1844 ' ' GLY . . . . . . . . . . . . . . . 173.45 83.7 0.06 OUTLIER Glycine 0 N--CA 1.446 -0.634 0 CA-C-N 115.499 -0.773 . . . . 0.0 111.423 179.487 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1845 ' ' ASP . . . . . . . . . . . . . 21.0 m-20 -118.18 111.42 38.63 Favored Pre-proline 0 C--N 1.325 -0.482 0 CA-C-O 120.779 0.323 . . . . 0.0 110.666 -177.823 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1846 ' ' PRO . . . . . 0.507 ' HB2' ' HB3' ' A' 1908 ' ' GLU . 19.7 Cg_exo -67.5 -21.07 46.95 Favored 'Trans proline' 0 CA--C 1.529 0.232 0 C-N-CA 122.82 2.346 . . . . 0.0 111.846 177.352 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1847 ' ' GLU . . . . . 0.474 ' HB3' ' HG2' ' A' 1908 ' ' GLU . 12.7 pt-20 -96.33 11.33 35.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.081 0.467 . . . . 0.0 110.429 176.52 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1848 ' ' GLY . . . . . 0.429 ' C ' ' H ' ' A' 1850 ' ' PHE . . . -62.29 155.56 39.57 Favored Glycine 0 N--CA 1.449 -0.491 0 CA-C-N 115.825 -0.625 . . . . 0.0 112.335 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1849 ' ' SER . . . . . . . . . . . . . 83.4 p 66.46 -24.55 0.1 Allowed 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 124.897 1.279 . . . . 0.0 112.938 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1850 ' ' PHE . . . . . 0.429 ' H ' ' C ' ' A' 1848 ' ' GLY . 77.5 t80 -62.6 -25.11 67.92 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.145 0.498 . . . . 0.0 110.374 177.018 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1851 ' ' VAL . . . . . . . . . . . . . 13.4 m -57.0 -33.76 43.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 115.414 -0.812 . . . . 0.0 111.636 -178.438 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1852 ' ' ASP . . . . . . . . . . . . . 31.0 t70 -73.12 -48.89 31.79 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.708 -178.114 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1853 ' ' TYR . . . . . 0.442 ' CE1' ' HB2' ' A' 1902 ' ' PRO . 50.5 m-85 -63.8 -41.57 97.89 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.079 -179.79 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1854 ' ' GLN . . . . . 0.847 ' HG3' ' HB3' ' A' 1968 ' ' LEU . 32.5 tt0 -55.24 -57.57 11.24 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.322 176.348 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1855 ' ' THR . . . . . 0.623 ' O ' ' HG2' ' A' 1859 ' ' ARG . 46.1 m -58.63 -30.07 66.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.342 -178.81 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1856 ' ' THR . . . . . 0.466 HG21 ' NE2' ' A' 1899 ' ' GLN . 1.2 m -69.26 -58.61 3.82 Favored 'General case' 0 N--CA 1.442 -0.833 0 N-CA-C 112.201 0.445 . . . . 0.0 112.201 -178.78 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1857 ' ' MET . . . . . 0.73 ' HG3' HD21 ' A' 1968 ' ' LEU . 5.5 ptm -79.31 -17.04 55.37 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 112.115 0.413 . . . . 0.0 112.115 -169.04 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1858 ' ' VAL . . . . . 0.536 ' O ' ' HG3' ' A' 1862 ' ' LYS . 35.6 m -66.22 -33.63 64.8 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.164 0 C-N-CA 119.991 -0.684 . . . . 0.0 109.915 172.377 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1859 ' ' ARG . . . . . 0.623 ' HG2' ' O ' ' A' 1855 ' ' THR . 17.3 mmt180 -68.98 -42.02 77.11 Favored 'General case' 0 CA--C 1.518 -0.286 0 N-CA-C 109.087 -0.709 . . . . 0.0 109.087 178.343 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1860 ' ' THR . . . . . 0.449 HG21 ' HB2' ' A' 1896 ' ' LEU . 28.4 m -59.61 -44.4 93.43 Favored 'General case' 0 N--CA 1.448 -0.549 0 CA-C-N 115.078 -0.964 . . . . 0.0 110.993 177.516 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1861 ' ' ALA . . . . . 0.451 ' HB1' ' HB ' ' A' 1961 ' ' VAL . . . -57.74 -41.79 82.58 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.618 177.383 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1862 ' ' LYS . . . . . 0.536 ' HG3' ' O ' ' A' 1858 ' ' VAL . 56.9 mttm -65.51 -43.41 90.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.593 178.545 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1863 ' ' ALA . . . . . . . . . . . . . . . -64.58 -36.48 84.37 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.891 179.057 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1864 ' ' ILE . . . . . 0.622 ' O ' HG13 ' A' 1868 ' ' VAL . 69.1 mt -66.81 -48.47 79.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 116.512 -0.313 . . . . 0.0 110.323 175.877 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1865 ' ' ALA . . . . . 0.768 ' HB2' HG21 ' A' 1961 ' ' VAL . . . -57.75 -43.94 85.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.205 -0.452 . . . . 0.0 112.162 -177.185 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1866 ' ' VAL . . . . . 0.501 ' O ' ' HG3' ' A' 1870 ' ' GLU . 12.7 p -66.96 -33.96 66.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 C-N-CA 120.84 -0.344 . . . . 0.0 110.524 179.537 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1867 ' ' THR . . . . . 0.648 ' O ' ' HG3' ' A' 1871 ' ' MET . 85.5 m -67.8 -52.43 37.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.372 -0.377 . . . . 0.0 110.9 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1868 ' ' VAL . . . . . 0.622 HG13 ' O ' ' A' 1864 ' ' ILE . 3.2 m -61.05 -29.67 46.16 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.245 0 CA-C-O 121.566 0.698 . . . . 0.0 110.445 -178.194 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1869 ' ' GLN . . . . . . . . . . . . . 57.6 tp60 -74.98 -29.89 61.03 Favored 'General case' 0 N--CA 1.425 -1.698 0 CA-C-N 114.787 -1.097 . . . . 0.0 110.191 -178.845 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1870 ' ' GLU . . . . . 0.501 ' HG3' ' O ' ' A' 1866 ' ' VAL . 48.6 mt-10 -74.35 -42.45 59.36 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.195 -0.457 . . . . 0.0 109.903 172.468 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1871 ' ' MET . . . . . 0.648 ' HG3' ' O ' ' A' 1867 ' ' THR . 59.0 mtp -55.46 -42.71 74.67 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.934 -0.575 . . . . 0.0 111.178 -177.056 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1872 ' ' VAL . . . . . 0.597 HG12 ' HA ' ' A' 1951 ' ' ILE . 28.3 m -74.23 -28.49 23.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-O 120.764 0.316 . . . . 0.0 111.756 178.512 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1873 ' ' THR . . . . . . . . . . . . . 94.6 m -74.07 -42.89 59.48 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.05 0.452 . . . . 0.0 110.638 178.286 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1874 ' ' LYS . . . . . 0.493 ' HG2' ' O ' ' A' 1870 ' ' GLU . 74.3 mmtt -66.14 -50.39 64.12 Favored 'General case' 0 C--O 1.221 -0.422 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.137 -178.578 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1875 ' ' SER . . . . . 0.535 ' HB2' ' HG3' ' A' 1947 ' ' LYS . 4.1 p -53.99 -20.53 6.42 Favored 'General case' 0 N--CA 1.468 0.431 0 N-CA-C 113.444 0.905 . . . . 0.0 113.444 -170.646 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1876 ' ' ASN . . . . . . . . . . . . . 86.1 m-20 -63.27 -31.9 73.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.803 0.335 . . . . 0.0 111.287 178.325 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1877 ' ' THR . . . . . . . . . . . . . 35.2 p -137.05 -37.95 0.64 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.128 0.489 . . . . 0.0 111.877 -176.426 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1878 ' ' SER . . . . . . . . . . . . . 51.4 m -109.13 99.59 36.57 Favored Pre-proline 0 C--N 1.322 -0.611 0 CA-C-N 115.608 -0.724 . . . . 0.0 111.089 -177.114 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1879 ' ' PRO . . . . . 0.833 ' HA ' HD12 ' A' 1882 ' ' LEU . 50.3 Cg_endo -89.16 -12.47 3.29 Favored 'Trans proline' 0 N--CA 1.443 -1.465 0 C-N-CA 121.776 1.651 . . . . 0.0 112.666 178.429 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1880 ' ' GLU . . . . . 0.544 ' HA ' ' HG2' ' A' 1938 ' ' GLN . 41.9 mt-10 -95.28 -23.24 17.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.665 0.269 . . . . 0.0 111.338 -177.009 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1881 ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -67.42 -13.11 61.73 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-O 121.091 0.472 . . . . 0.0 110.716 174.727 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1882 ' ' LEU . . . . . 0.833 HD12 ' HA ' ' A' 1879 ' ' PRO . 1.7 mt -76.93 -16.39 59.38 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.695 -0.684 . . . . 0.0 112.244 -178.184 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1883 ' ' GLY . . . . . . . . . . . . . . . -56.59 -61.31 7.63 Favored Glycine 0 CA--C 1.52 0.369 0 C-N-CA 120.833 -0.698 . . . . 0.0 112.526 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1884 ' ' PRO . . . . . . . . . . . . . 18.9 Cg_endo -60.9 -31.41 91.53 Favored 'Trans proline' 0 C--N 1.344 0.327 0 C-N-CA 122.541 2.161 . . . . 0.0 112.497 176.777 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1885 ' ' LEU . . . . . 0.439 ' HB3' ' HG2' ' A' 1871 ' ' MET . 86.0 mt -66.66 -41.25 88.46 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.615 -0.266 . . . . 0.0 111.217 -178.354 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1886 ' ' ALA . . . . . . . . . . . . . . . -62.8 -45.74 91.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.111 0.482 . . . . 0.0 110.617 178.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1887 ' ' ASN . . . . . . . . . . . . . 44.3 t30 -66.71 -35.06 79.25 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.846 -0.616 . . . . 0.0 110.474 178.265 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1888 ' ' GLN . . . . . . . . . . . . . 19.2 tp60 -64.54 -49.52 70.91 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.56 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1889 ' ' LEU . . . . . 0.515 HD12 ' SD ' ' A' 1871 ' ' MET . 1.3 tt -57.79 -46.82 84.09 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 109.453 -0.573 . . . . 0.0 109.453 177.48 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1890 ' ' THR . . . . . . . . . . . . . 85.8 m -57.57 -44.6 85.41 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.279 -0.873 . . . . 0.0 111.492 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1891 ' ' SER . . . . . . . . . . . . . 53.7 m -61.92 -50.28 72.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.496 -178.169 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1892 ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -64.78 -42.38 95.14 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.595 -0.275 . . . . 0.0 111.417 -178.605 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1893 ' ' TYR . . . . . . . . . . . . . 55.3 t80 -57.41 -34.72 69.2 Favored 'General case' 0 C--O 1.233 0.214 0 C-N-CA 120.674 -0.411 . . . . 0.0 110.884 179.179 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1894 ' ' GLY . . . . . . . . . . . . . . . -54.15 -42.36 72.14 Favored Glycine 0 N--CA 1.449 -0.444 0 C-N-CA 120.932 -0.651 . . . . 0.0 111.86 176.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1895 ' ' ARG . . . . . . . . . . . . . 8.0 mpt_? -68.34 -48.84 63.76 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.932 0.396 . . . . 0.0 110.124 178.065 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1896 ' ' LEU . . . . . 0.449 ' HB2' HG21 ' A' 1860 ' ' THR . 58.2 tp -54.3 -50.62 66.9 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.559 -0.746 . . . . 0.0 111.526 -178.728 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1897 ' ' ALA . . . . . . . . . . . . . . . -67.0 -25.73 66.45 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.561 -177.42 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1898 ' ' SER . . . . . . . . . . . . . 62.6 m -81.53 -45.04 16.49 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.811 0.339 . . . . 0.0 110.67 -176.14 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1899 ' ' GLN . . . . . 0.466 ' NE2' HG21 ' A' 1856 ' ' THR . 20.6 mm-40 -68.27 -13.03 61.95 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.924 -178.213 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1900 ' ' ALA . . . . . . . . . . . . . . . -67.62 -27.16 66.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.049 178.029 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1901 ' ' LYS . . . . . 0.72 ' HB3' ' HD3' ' A' 1902 ' ' PRO . 23.0 tptm -70.08 -57.12 6.44 Favored Pre-proline 0 CA--C 1.538 0.503 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.407 -178.827 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1902 ' ' PRO . . . . . 0.72 ' HD3' ' HB3' ' A' 1901 ' ' LYS . 14.6 Cg_exo -68.98 -25.06 32.59 Favored 'Trans proline' 0 C--N 1.357 1.019 0 C-N-CA 122.104 1.869 . . . . 0.0 112.046 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1903 ' ' ALA . . . . . . . . . . . . . . . -70.95 -31.61 68.24 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.429 -0.351 . . . . 0.0 110.824 178.204 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1904 ' ' ALA . . . . . . . . . . . . . . . -75.03 -37.7 61.67 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.932 0.396 . . . . 0.0 110.721 -177.925 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1905 ' ' VAL . . . . . 0.473 HG22 ' HA ' ' A' 1902 ' ' PRO . 33.1 m -81.27 -13.31 12.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.618 -177.17 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1906 ' ' ALA . . . . . . . . . . . . . . . -104.43 3.4 32.16 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.876 0.369 . . . . 0.0 111.081 179.735 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1907 ' ' ALA . . . . . . . . . . . . . . . -89.22 119.52 29.79 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.884 -179.158 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1908 ' ' GLU . . . . . 0.507 ' HB3' ' HB2' ' A' 1846 ' ' PRO . 6.6 pt-20 -63.06 -29.62 70.96 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.515 179.434 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1909 ' ' ASN . . . . . 0.565 ' HB2' HG13 ' A' 1912 ' ' ILE . 7.8 m-20 -95.18 134.69 37.64 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.838 0.351 . . . . 0.0 110.709 -178.907 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1910 ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -53.65 -49.59 67.6 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.194 -0.912 . . . . 0.0 111.222 179.192 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1911 ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -73.05 -30.94 64.09 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.811 -0.631 . . . . 0.0 112.298 -173.774 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1912 ' ' ILE . . . . . 0.622 ' O ' HG13 ' A' 1916 ' ' ILE . 51.9 mt -55.18 -54.21 26.86 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.33 0 C-N-CA 120.568 -0.453 . . . . 0.0 110.335 -179.603 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1913 ' ' GLY . . . . . . . . . . . . . . . -64.75 -36.38 93.05 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.407 -178.558 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1914 ' ' ALA . . . . . . . . . . . . . . . -69.1 -41.15 77.84 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.622 0.249 . . . . 0.0 110.49 -178.644 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1915 ' ' HIS . . . . . 0.574 ' O ' ' HG2' ' A' 1919 ' ' ARG . 23.1 m80 -63.83 -40.49 96.74 Favored 'General case' 0 CA--C 1.517 -0.299 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.836 -179.71 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1916 ' ' ILE . . . . . 0.622 HG13 ' O ' ' A' 1912 ' ' ILE . 76.5 mt -55.42 -57.0 8.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 121.183 0.516 . . . . 0.0 110.427 178.118 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1917 ' ' LYS . . . . . 0.476 ' HA ' HG22 ' A' 1920 ' ' VAL . 19.8 mtpp -64.0 -29.83 70.96 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.375 -0.83 . . . . 0.0 111.031 -179.106 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1918 ' ' HIS . . . . . . . . . . . . . 39.1 t-80 -68.44 -44.95 73.8 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.19 177.739 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1919 ' ' ARG . . . . . 0.574 ' HG2' ' O ' ' A' 1915 ' ' HIS . 29.3 mmt180 -74.0 -33.21 63.73 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.49 -175.536 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1920 ' ' VAL . . . . . 0.476 HG22 ' HA ' ' A' 1917 ' ' LYS . 33.2 m -72.6 -28.51 28.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 C-N-CA 120.535 -0.466 . . . . 0.0 110.7 177.617 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1921 ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -69.77 -40.24 76.21 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 108.27 -1.011 . . . . 0.0 108.27 172.412 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1922 ' ' GLU . . . . . 0.538 ' HG2' ' HD3' ' A' 1960 ' ' LYS . 35.7 tt0 -66.87 -49.05 66.9 Favored 'General case' 0 N--CA 1.444 -0.742 0 CA-C-N 114.045 -1.434 . . . . 0.0 109.199 -175.325 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1923 ' ' LEU . . . . . 0.489 ' HG ' ' HB2' ' A' 1960 ' ' LYS . 1.1 tt -68.65 -37.8 79.94 Favored 'General case' 0 N--CA 1.444 -0.733 0 CA-C-N 114.554 -1.203 . . . . 0.0 109.559 177.313 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1924 ' ' GLY . . . . . . . . . . . . . . . -55.57 -55.28 29.48 Favored Glycine 0 N--CA 1.452 -0.261 0 CA-C-N 115.809 -0.632 . . . . 0.0 113.706 -177.219 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1925 ' ' HIS . . . . . . . . . . . . . 6.0 p-80 -70.13 -20.17 63.18 Favored 'General case' 0 C--N 1.324 -0.51 0 C-N-CA 120.383 -0.527 . . . . 0.0 110.547 -179.437 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1926 ' ' GLY . . . . . . . . . . . . . . . -77.35 -48.49 8.12 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.897 -0.668 . . . . 0.0 112.288 176.896 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1927 ' ' CYS . . . . . 0.419 ' HB2' HD22 ' A' 1889 ' ' LEU . 28.6 p -70.49 -35.87 73.49 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.719 0.295 . . . . 0.0 110.637 -178.827 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1928 ' ' SER . . . . . . . . . . . . . 24.7 t -62.9 -39.09 93.43 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.114 177.229 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1929 ' ' ALA . . . . . . . . . . . . . . . -69.1 -36.97 78.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.133 0.492 . . . . 0.0 110.159 176.169 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1930 ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -62.51 -53.16 58.81 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.492 -0.776 . . . . 0.0 110.28 179.306 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1931 ' ' VAL . . . . . . . . . . . . . 34.7 m -63.94 -29.5 47.46 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.163 0 N-CA-C 111.728 0.27 . . . . 0.0 111.728 -175.831 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1932 ' ' THR . . . . . . . . . . . . . 73.4 m -62.88 -45.43 92.57 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.076 0.465 . . . . 0.0 110.076 174.917 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1933 ' ' LYS . . . . . . . . . . . . . 32.2 mmtp -75.5 -34.67 60.85 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.537 -179.714 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1934 ' ' ALA . . . . . . . . . . . . . . . -60.41 -46.22 90.79 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.449 -0.342 . . . . 0.0 110.439 176.208 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1935 ' ' GLY . . . . . . . . . . . . . . . -67.92 -36.8 87.2 Favored Glycine 0 N--CA 1.448 -0.509 0 C-N-CA 120.793 -0.718 . . . . 0.0 111.978 177.143 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1936 ' ' ALA . . . . . . . . . . . . . . . -64.32 -47.24 80.17 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.671 0.272 . . . . 0.0 111.239 178.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1937 ' ' LEU . . . . . 0.539 ' HB2' HG22 ' A' 1946 ' ' THR . 55.5 tp -69.08 -27.91 66.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.274 0.559 . . . . 0.0 110.267 179.28 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1938 ' ' GLN . . . . . 0.544 ' HG2' ' HA ' ' A' 1880 ' ' GLU . 0.3 OUTLIER -69.92 -34.42 73.45 Favored 'General case' 0 N--CA 1.445 -0.708 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.098 179.803 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A 1939 ' ' CYS . . . . . . . . . . . . . 55.8 m -86.11 -34.75 20.54 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.872 -0.603 . . . . 0.0 110.482 177.545 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1940 ' ' SER . . . . . . . . . . . . . 51.1 m -119.55 85.05 31.39 Favored Pre-proline 0 C--N 1.325 -0.484 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.295 -179.713 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1941 ' ' PRO . . . . . 0.617 ' HB3' ' HG3' ' A' 1879 ' ' PRO . 12.8 Cg_exo -72.71 -13.03 26.99 Favored 'Trans proline' 0 N--CA 1.465 -0.16 0 C-N-CA 122.94 2.427 . . . . 0.0 112.086 179.152 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1942 ' ' SER . . . . . . . . . . . . . 56.8 m -90.89 8.88 32.78 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.989 -0.551 . . . . 0.0 111.209 -179.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1943 ' ' ASP . . . . . . . . . . . . . 13.0 t70 -113.1 97.66 6.65 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.918 0.39 . . . . 0.0 110.256 178.216 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1944 ' ' VAL . . . . . . . . . . . . . 8.0 p -72.65 -22.6 20.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.051 -175.533 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1945 ' ' TYR . . . . . 0.467 ' O ' ' HG3' ' A' 1949 ' ' GLU . 85.6 m-85 -66.97 -40.7 87.51 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.068 -0.515 . . . . 0.0 109.925 -178.809 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1946 ' ' THR . . . . . 0.539 HG22 ' HB2' ' A' 1937 ' ' LEU . 89.4 m -58.58 -41.24 85.3 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.516 -0.765 . . . . 0.0 110.209 173.82 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1947 ' ' LYS . . . . . 0.535 ' HG3' ' HB2' ' A' 1875 ' ' SER . 30.4 ttpt -63.12 -44.32 95.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.782 -0.644 . . . . 0.0 110.415 179.031 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1948 ' ' LYS . . . . . 0.493 ' HE2' ' HA ' ' A' 1948 ' ' LYS . 8.8 mmpt? -55.76 -51.12 68.48 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.545 179.76 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1949 ' ' GLU . . . . . 0.467 ' HG3' ' O ' ' A' 1945 ' ' TYR . 24.9 mt-10 -66.02 -28.62 69.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.109 -177.122 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1950 ' ' LEU . . . . . 0.591 HD11 HD22 ' A' 1882 ' ' LEU . 7.5 tt -61.83 -52.03 65.81 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.518 -0.549 . . . . 0.0 109.518 176.684 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1951 ' ' ILE . . . . . 0.597 ' HA ' HG12 ' A' 1872 ' ' VAL . 1.9 mp -63.49 -44.18 98.67 Favored 'Isoleucine or valine' 0 C--O 1.235 0.322 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.442 177.483 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1952 ' ' GLU . . . . . . . . . . . . . 28.7 mm-40 -64.81 -24.69 67.63 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.883 -0.599 . . . . 0.0 112.084 -177.591 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1953 ' ' CYS . . . . . . . . . . . . . 7.4 t -88.47 -42.92 11.81 Favored 'General case' 0 C--N 1.323 -0.547 0 C-N-CA 120.999 -0.28 . . . . 0.0 110.55 179.538 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1954 ' ' ALA . . . . . 0.406 ' O ' HG22 ' A' 1957 ' ' VAL . . . -62.07 -37.28 84.41 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.641 -177.482 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1955 ' ' ARG . . . . . . . . . . . . . 8.3 ptp180 -59.39 -26.95 65.56 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.984 0.421 . . . . 0.0 110.835 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1956 ' ' ARG . . . . . 0.645 ' O ' ' HG3' ' A' 1960 ' ' LYS . 27.9 mtt180 -81.7 -31.79 31.99 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.674 -176.796 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1957 ' ' VAL . . . . . 0.535 ' O ' HG13 ' A' 1961 ' ' VAL . 5.0 m -83.61 -23.51 8.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 C-N-CA 120.591 -0.444 . . . . 0.0 111.326 -175.36 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1958 ' ' SER . . . . . 0.66 ' O ' HG22 ' A' 1961 ' ' VAL . 18.7 m -59.7 -34.66 73.18 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-O 120.968 0.413 . . . . 0.0 110.979 179.522 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1959 ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -81.35 -26.25 35.7 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.704 0.288 . . . . 0.0 110.638 176.531 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1960 ' ' LYS . . . . . 0.645 ' HG3' ' O ' ' A' 1956 ' ' ARG . 57.9 mttm -67.96 -30.62 69.95 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.616 -0.266 . . . . 0.0 110.506 -179.554 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1961 ' ' VAL . . . . . 0.768 HG21 ' HB2' ' A' 1865 ' ' ALA . 2.5 m -65.35 -35.68 75.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 N-CA-C 109.095 -0.705 . . . . 0.0 109.095 175.026 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1962 ' ' SER . . . . . 0.596 ' HA ' HD12 ' A' 1965 ' ' LEU . 50.5 m -71.58 -24.66 61.95 Favored 'General case' 0 N--CA 1.45 -0.45 0 CA-C-N 114.93 -1.032 . . . . 0.0 110.186 177.487 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1963 ' ' HIS . . . . . 0.5 ' HB3' ' CD ' ' A' 1919 ' ' ARG . 59.0 m170 -73.83 -33.16 64.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.294 178.881 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1964 ' ' VAL . . . . . . . . . . . . . 96.4 t -66.38 -41.0 88.08 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.22 0 N-CA-C 109.188 -0.671 . . . . 0.0 109.188 174.1 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1965 ' ' LEU . . . . . 0.596 HD12 ' HA ' ' A' 1962 ' ' SER . 66.7 mt -58.69 -50.11 75.1 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.269 -0.878 . . . . 0.0 110.57 177.6 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1966 ' ' ALA . . . . . . . . . . . . . . . -68.71 -38.53 80.32 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.955 -0.566 . . . . 0.0 112.264 -176.16 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1967 ' ' ALA . . . . . . . . . . . . . . . -61.14 -41.15 96.22 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-O 121.202 0.525 . . . . 0.0 111.173 178.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1968 ' ' LEU . . . . . 0.847 ' HB3' ' HG3' ' A' 1854 ' ' GLN . 4.9 mp -71.78 -39.6 69.82 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.714 -0.675 . . . . 0.0 111.217 -179.479 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1969 ' ' GLN . . . . . . . . . . . . . 66.9 mt-30 -90.63 33.18 0.92 Allowed 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.546 -178.053 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1970 ' ' ALA . . . . . . . . . . . . . . . -104.4 40.59 1.44 Allowed 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.961 -178.738 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1971 ' ' GLY . . . . . . . . . . . . . . . -78.24 -161.79 18.64 Favored Glycine 0 N--CA 1.448 -0.508 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.425 -179.005 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1972 ' ' ASN . . . . . . . . . . . . . 28.1 p-10 -66.26 -26.56 67.41 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.028 0.442 . . . . 0.0 111.059 -179.846 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1973 ' ' ARG . . . . . . . . . . . . . 35.2 ttm180 . . . . . 0 C--O 1.247 0.96 0 CA-C-O 118.564 -0.731 . . . . 0.0 110.23 -178.683 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A 1837 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.852 0 N-CA-C 112.157 -0.377 . . . . 0.0 112.157 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A 1838 ' ' ILE . . . . . . . . . . . . . 8.2 tp -161.73 125.66 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 N-CA-C 109.629 -0.508 . . . . 0.0 109.629 178.851 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1839 ' ' ASP . . . . . . . . . . . . . 11.8 t70 -96.73 130.97 28.97 Favored Pre-proline 0 C--N 1.323 -0.58 0 C-N-CA 120.734 -0.386 . . . . 0.0 110.084 -178.863 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1840 ' ' PRO . . . . . . . . . . . . . 49.7 Cg_endo -69.64 -21.77 33.59 Favored 'Trans proline' 0 CA--C 1.532 0.395 0 C-N-CA 122.886 2.39 . . . . 0.0 114.14 -174.266 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1841 ' ' PHE . . . . . . . . . . . . . 83.4 m-85 -130.19 -37.57 1.45 Allowed 'General case' 0 C--N 1.332 -0.184 0 N-CA-C 113.107 0.78 . . . . 0.0 113.107 -173.307 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1842 ' ' THR . . . . . . . . . . . . . 55.6 p -101.06 163.72 12.15 Favored 'General case' 0 C--N 1.322 -0.598 0 C-N-CA 120.653 -0.419 . . . . 0.0 110.984 -178.687 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1843 ' ' MET . . . . . . . . . . . . . 1.3 pmm? -93.61 141.83 28.04 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.144 178.813 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1844 ' ' GLY . . . . . 0.698 ' HA2' HG21 ' A' 1851 ' ' VAL . . . 101.51 178.29 28.49 Favored Glycine 0 N--CA 1.447 -0.615 0 C-N-CA 120.679 -0.772 . . . . 0.0 113.234 175.623 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1845 ' ' ASP . . . . . 0.419 ' OD2' ' HD3' ' A' 1973 ' ' ARG . 15.1 t70 -145.22 152.12 49.82 Favored Pre-proline 0 C--N 1.324 -0.53 0 N-CA-C 107.489 -1.301 . . . . 0.0 107.489 179.467 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1846 ' ' PRO . . . . . . . . . . . . . 32.6 Cg_exo -62.68 42.84 0.09 OUTLIER 'Trans proline' 0 N--CA 1.482 0.82 0 C-N-CA 123.348 2.699 . . . . 0.0 115.059 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1847 ' ' GLU . . . . . 0.41 ' OE2' HG13 ' A' 1851 ' ' VAL . 1.1 pp20? -106.32 -19.09 13.8 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.246 0.546 . . . . 0.0 110.411 172.372 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1848 ' ' GLY . . . . . . . . . . . . . . . 136.76 -90.59 0.21 Allowed Glycine 0 N--CA 1.444 -0.818 0 CA-C-N 115.641 -0.709 . . . . 0.0 112.144 -178.092 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1849 ' ' SER . . . . . . . . . . . . . 37.5 m -153.83 7.25 0.34 Allowed 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 111.721 0.267 . . . . 0.0 111.721 -177.061 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1850 ' ' PHE . . . . . 0.413 ' HA ' ' HD1' ' A' 1853 ' ' TYR . 87.2 t80 -64.65 -20.53 66.34 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.698 0.285 . . . . 0.0 111.207 -172.394 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1851 ' ' VAL . . . . . 0.698 HG21 ' HA2' ' A' 1844 ' ' GLY . 23.2 m -52.94 -35.02 21.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.159 -0.473 . . . . 0.0 112.215 -179.278 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1852 ' ' ASP . . . . . . . . . . . . . 32.2 t70 -78.04 -45.55 23.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.025 0.441 . . . . 0.0 110.619 -179.795 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1853 ' ' TYR . . . . . 0.595 ' O ' ' HG3' ' A' 1857 ' ' MET . 75.9 m-85 -61.29 -36.72 80.85 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.364 -179.874 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1854 ' ' GLN . . . . . 0.828 ' HG3' ' HB3' ' A' 1968 ' ' LEU . 23.9 tt0 -62.81 -57.69 10.0 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.507 174.751 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1855 ' ' THR . . . . . 0.539 ' O ' ' HG2' ' A' 1859 ' ' ARG . 30.6 m -57.55 -41.52 81.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.877 -173.873 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1856 ' ' THR . . . . . 0.477 HG22 ' O ' ' A' 1853 ' ' TYR . 13.8 t -60.3 -41.58 93.72 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.739 0.305 . . . . 0.0 111.416 -176.246 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1857 ' ' MET . . . . . 0.738 ' HG2' ' HB2' ' A' 1899 ' ' GLN . 4.0 mtp -82.55 -31.2 29.22 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 120.688 -0.405 . . . . 0.0 110.874 -175.605 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1858 ' ' VAL . . . . . 0.483 HG13 ' O ' ' A' 1854 ' ' GLN . 15.1 m -66.48 -35.28 74.5 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.283 0 C-N-CA 120.109 -0.636 . . . . 0.0 110.077 178.145 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1859 ' ' ARG . . . . . 0.539 ' HG2' ' O ' ' A' 1855 ' ' THR . 22.0 mmm180 -64.22 -37.68 88.35 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 121.225 0.536 . . . . 0.0 109.66 175.489 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1860 ' ' THR . . . . . 0.519 ' O ' HG13 ' A' 1864 ' ' ILE . 30.7 m -70.78 -45.29 64.95 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.262 -0.881 . . . . 0.0 111.075 -179.687 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1861 ' ' ALA . . . . . 0.424 ' HB1' ' HB ' ' A' 1961 ' ' VAL . . . -60.03 -41.47 92.3 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.19 -179.185 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1862 ' ' LYS . . . . . . . . . . . . . 54.8 mttm -67.1 -28.97 68.61 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.638 178.389 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1863 ' ' ALA . . . . . 0.407 ' O ' HG12 ' A' 1866 ' ' VAL . . . -73.85 -37.68 64.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.35 176.566 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1864 ' ' ILE . . . . . 0.832 HG12 ' HB3' ' A' 1892 ' ' ASP . 61.6 mt -64.26 -43.15 97.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-O 121.092 0.472 . . . . 0.0 110.013 175.413 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1865 ' ' ALA . . . . . 0.76 ' HB2' HG21 ' A' 1961 ' ' VAL . . . -58.06 -46.58 85.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.537 -0.756 . . . . 0.0 112.068 -177.462 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1866 ' ' VAL . . . . . 0.407 HG12 ' O ' ' A' 1863 ' ' ALA . 11.6 p -64.21 -34.33 68.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 C-N-CA 120.597 -0.441 . . . . 0.0 110.606 -178.928 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1867 ' ' THR . . . . . 0.715 ' O ' ' HG3' ' A' 1871 ' ' MET . 68.9 m -65.43 -51.82 57.54 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.552 -0.294 . . . . 0.0 110.832 178.222 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1868 ' ' VAL . . . . . 0.494 HG13 ' O ' ' A' 1864 ' ' ILE . 4.7 m -65.96 -32.2 57.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-O 121.375 0.607 . . . . 0.0 110.854 -176.686 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1869 ' ' GLN . . . . . 0.419 ' HB3' ' O ' ' A' 1865 ' ' ALA . 4.5 tp60 -72.34 -31.24 65.47 Favored 'General case' 0 N--CA 1.443 -0.811 0 CA-C-N 115.37 -0.832 . . . . 0.0 109.695 177.894 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1870 ' ' GLU . . . . . 0.617 ' O ' ' HG2' ' A' 1874 ' ' LYS . 23.5 mt-10 -66.95 -47.8 70.54 Favored 'General case' 0 C--O 1.22 -0.448 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.2 170.477 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1871 ' ' MET . . . . . 0.715 ' HG3' ' O ' ' A' 1867 ' ' THR . 59.7 mtp -52.81 -42.59 65.25 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.904 -174.547 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1872 ' ' VAL . . . . . 0.591 HG12 ' HA ' ' A' 1951 ' ' ILE . 29.5 m -70.43 -35.83 63.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 C-N-CA 120.797 -0.361 . . . . 0.0 111.231 178.757 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1873 ' ' THR . . . . . . . . . . . . . 94.6 m -70.08 -40.03 75.24 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 121.35 0.595 . . . . 0.0 110.463 178.412 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1874 ' ' LYS . . . . . 0.617 ' HG2' ' O ' ' A' 1870 ' ' GLU . 31.2 mmtp -74.97 -17.51 60.53 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.522 -0.763 . . . . 0.0 111.353 -176.092 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1875 ' ' SER . . . . . 0.415 ' HA ' HD11 ' A' 1882 ' ' LEU . 85.2 p -63.48 -16.28 60.22 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.166 0.507 . . . . 0.0 110.916 -179.144 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1876 ' ' ASN . . . . . . . . . . . . . 77.2 m-20 -85.52 -60.53 2.0 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.258 -178.121 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1877 ' ' THR . . . . . . . . . . . . . 33.6 p -118.19 2.52 11.99 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 112.678 0.621 . . . . 0.0 112.678 -171.834 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1878 ' ' SER . . . . . 0.476 ' HB3' ' HG2' ' A' 1881 ' ' GLU . 66.6 m -141.8 54.87 4.34 Favored Pre-proline 0 C--N 1.324 -0.534 0 N-CA-C 112.857 0.688 . . . . 0.0 112.857 -172.379 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1879 ' ' PRO . . . . . 0.978 ' HA ' HD12 ' A' 1882 ' ' LEU . 87.1 Cg_endo -78.8 -4.03 13.71 Favored 'Trans proline' 0 N--CA 1.454 -0.82 0 C-N-CA 121.028 1.152 . . . . 0.0 111.779 -177.506 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1880 ' ' GLU . . . . . . . . . . . . . 20.5 mm-40 -79.6 -45.08 19.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.006 178.629 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1881 ' ' GLU . . . . . 0.476 ' HG2' ' HB3' ' A' 1878 ' ' SER . 11.4 pt-20 -77.04 -11.83 59.86 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-O 121.142 0.496 . . . . 0.0 111.175 -178.284 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1882 ' ' LEU . . . . . 0.978 HD12 ' HA ' ' A' 1879 ' ' PRO . 1.9 mt -60.29 -27.37 67.23 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.603 -0.726 . . . . 0.0 112.25 179.594 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1883 ' ' GLY . . . . . . . . . . . . . . . -62.29 -60.77 7.41 Favored Glycine 0 CA--C 1.519 0.332 0 C-N-CA 120.519 -0.848 . . . . 0.0 111.747 174.764 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1884 ' ' PRO . . . . . . . . . . . . . 53.6 Cg_exo -50.19 -39.72 51.8 Favored 'Trans proline' 0 C--N 1.345 0.386 0 C-N-CA 122.791 2.327 . . . . 0.0 112.609 172.279 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1885 ' ' LEU . . . . . . . . . . . . . 33.7 mt -63.83 -36.82 85.16 Favored 'General case' 0 C--O 1.231 0.09 0 CA-C-O 120.643 0.259 . . . . 0.0 111.209 179.785 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1886 ' ' ALA . . . . . . . . . . . . . . . -65.27 -42.08 93.58 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.193 0.521 . . . . 0.0 110.343 176.929 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1887 ' ' ASN . . . . . . . . . . . . . 6.8 m-20 -65.42 -37.45 86.97 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.331 0.586 . . . . 0.0 109.762 176.656 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1888 ' ' GLN . . . . . . . . . . . . . 59.5 tp60 -62.11 -48.83 78.41 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.104 -0.953 . . . . 0.0 110.583 178.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1889 ' ' LEU . . . . . 0.415 HD12 ' SD ' ' A' 1871 ' ' MET . 0.5 OUTLIER -58.68 -43.25 89.89 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.291 0.567 . . . . 0.0 109.541 177.799 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A 1890 ' ' THR . . . . . . . . . . . . . 76.4 m -60.4 -40.09 89.72 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.34 -0.846 . . . . 0.0 111.077 178.647 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1891 ' ' SER . . . . . . . . . . . . . 30.3 t -71.59 -47.32 55.54 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.794 179.204 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1892 ' ' ASP . . . . . 0.832 ' HB3' HG12 ' A' 1864 ' ' ILE . 17.5 m-20 -59.12 -41.94 89.4 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.571 -178.167 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1893 ' ' TYR . . . . . . . . . . . . . 42.7 t80 -61.92 -40.29 94.98 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 120.909 -0.316 . . . . 0.0 111.104 -179.491 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1894 ' ' GLY . . . . . . . . . . . . . . . -57.74 -42.95 94.69 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.831 -0.7 . . . . 0.0 111.876 179.323 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1895 ' ' ARG . . . . . . . . . . . . . 67.3 ttt180 -61.17 -44.21 97.67 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.096 0.474 . . . . 0.0 110.457 178.223 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1896 ' ' LEU . . . . . 0.781 HD11 HG11 ' A' 1964 ' ' VAL . 43.7 tp -64.3 -57.28 9.86 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.751 -0.659 . . . . 0.0 111.724 -178.137 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1897 ' ' ALA . . . . . . . . . . . . . . . -60.32 -23.2 64.03 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.718 -0.674 . . . . 0.0 112.357 -173.229 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1898 ' ' SER . . . . . . . . . . . . . 55.6 m -80.91 -24.42 38.23 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 121.085 0.469 . . . . 0.0 110.752 -172.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1899 ' ' GLN . . . . . 0.738 ' HB2' ' HG2' ' A' 1857 ' ' MET . 19.2 mm-40 -84.1 -11.3 56.87 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.204 -179.778 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1900 ' ' ALA . . . . . . . . . . . . . . . -69.06 -30.75 69.15 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.043 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1901 ' ' LYS . . . . . 0.654 ' HB3' ' HD3' ' A' 1902 ' ' PRO . 8.2 tmtt? -64.53 -57.0 18.58 Favored Pre-proline 0 CA--C 1.538 0.507 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.597 -178.759 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1902 ' ' PRO . . . . . 0.654 ' HD3' ' HB3' ' A' 1901 ' ' LYS . 15.6 Cg_exo -69.03 -30.44 25.68 Favored 'Trans proline' 0 C--N 1.354 0.863 0 C-N-CA 121.871 1.714 . . . . 0.0 112.345 179.834 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1903 ' ' ALA . . . . . . . . . . . . . . . -66.38 -36.26 82.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.835 0.35 . . . . 0.0 111.344 -178.773 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1904 ' ' ALA . . . . . . . . . . . . . . . -70.14 -32.11 69.94 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.767 -175.576 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1905 ' ' VAL . . . . . . . . . . . . . 34.1 m -94.57 -7.31 10.03 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.471 -176.29 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1906 ' ' ALA . . . . . . . . . . . . . . . -100.98 -7.59 23.19 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.815 0.34 . . . . 0.0 111.252 -179.518 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1907 ' ' ALA . . . . . . . . . . . . . . . -84.82 144.97 28.1 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.55 179.699 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1908 ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -86.25 -12.44 49.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.162 178.14 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1909 ' ' ASN . . . . . 0.511 ' HB3' HG13 ' A' 1912 ' ' ILE . 50.1 t-20 -109.96 131.75 54.77 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 109.822 -0.436 . . . . 0.0 109.822 -179.091 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1910 ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -53.31 -52.16 60.02 Favored 'General case' 0 C--N 1.328 -0.341 0 O-C-N 123.877 0.735 . . . . 0.0 111.474 179.487 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1911 ' ' GLU . . . . . . . . . . . . . 13.0 mt-10 -66.13 -31.93 73.08 Favored 'General case' 0 N--CA 1.448 -0.55 0 CA-C-N 115.734 -0.666 . . . . 0.0 112.133 -171.67 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1912 ' ' ILE . . . . . 0.563 ' O ' HG13 ' A' 1916 ' ' ILE . 63.7 mt -57.84 -53.69 41.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 C-N-CA 120.61 -0.436 . . . . 0.0 110.093 179.125 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1913 ' ' GLY . . . . . . . . . . . . . . . -67.13 -29.05 73.98 Favored Glycine 0 N--CA 1.449 -0.487 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.175 -179.359 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1914 ' ' ALA . . . . . . . . . . . . . . . -74.38 -48.61 26.85 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.656 0.265 . . . . 0.0 110.856 -178.645 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1915 ' ' HIS . . . . . . . . . . . . . 70.1 m-70 -59.42 -38.9 81.83 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.317 -177.048 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1916 ' ' ILE . . . . . 0.563 HG13 ' O ' ' A' 1912 ' ' ILE . 82.9 mt -53.02 -55.62 11.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.967 178.708 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1917 ' ' LYS . . . . . 0.442 ' HA ' HG22 ' A' 1920 ' ' VAL . 48.4 mtmt -67.25 -24.65 65.82 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.8 -0.636 . . . . 0.0 112.032 -176.109 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1918 ' ' HIS . . . . . . . . . . . . . 40.3 m80 -78.13 -34.96 49.62 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.039 0.447 . . . . 0.0 110.858 177.633 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1919 ' ' ARG . . . . . 0.481 ' CD ' ' HB3' ' A' 1963 ' ' HIS . 24.7 mmt180 -81.01 -32.95 33.97 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.848 -176.554 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1920 ' ' VAL . . . . . 0.442 HG22 ' HA ' ' A' 1917 ' ' LYS . 35.5 m -70.27 -24.35 25.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 C-N-CA 120.51 -0.476 . . . . 0.0 110.057 175.869 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1921 ' ' GLN . . . . . . . . . . . . . 30.2 tt0 -66.06 -36.38 83.06 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.091 -0.504 . . . . 0.0 109.947 175.92 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1922 ' ' GLU . . . . . 0.96 ' HB3' ' HD3' ' A' 1960 ' ' LYS . 33.4 mt-10 -58.26 -52.7 64.46 Favored 'General case' 0 CA--C 1.521 -0.164 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.251 175.104 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1923 ' ' LEU . . . . . 0.414 ' CD2' ' HB ' ' A' 1957 ' ' VAL . 69.8 mt -65.35 -23.71 67.06 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.411 -0.813 . . . . 0.0 111.33 -179.54 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1924 ' ' GLY . . . . . . . . . . . . . . . -63.09 -53.52 39.64 Favored Glycine 0 N--CA 1.448 -0.549 0 C-N-CA 120.719 -0.753 . . . . 0.0 111.739 176.325 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1925 ' ' HIS . . . . . . . . . . . . . 38.6 m80 -74.65 -30.48 61.63 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.838 0.352 . . . . 0.0 110.351 179.817 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1926 ' ' GLY . . . . . . . . . . . . . . . -67.39 -41.46 90.94 Favored Glycine 0 N--CA 1.448 -0.518 0 C-N-CA 120.867 -0.683 . . . . 0.0 112.151 177.274 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1927 ' ' CYS . . . . . . . . . . . . . 52.6 t -62.61 -52.27 64.01 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 110.426 -0.213 . . . . 0.0 110.426 179.057 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1928 ' ' SER . . . . . . . . . . . . . 10.4 p -60.33 -35.92 76.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.905 0.383 . . . . 0.0 111.121 -178.203 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1929 ' ' ALA . . . . . . . . . . . . . . . -68.78 -50.91 46.49 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.705 177.36 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1930 ' ' LEU . . . . . 0.549 HD11 ' HB2' ' A' 1954 ' ' ALA . 0.6 OUTLIER -62.57 -48.07 81.06 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.76 -0.654 . . . . 0.0 111.102 -175.84 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A 1931 ' ' VAL . . . . . . . . . . . . . 22.9 m -64.96 -27.87 43.43 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-O 120.726 0.298 . . . . 0.0 111.457 -176.272 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1932 ' ' THR . . . . . . . . . . . . . 89.0 m -71.91 -43.49 65.25 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.993 0.425 . . . . 0.0 110.06 175.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1933 ' ' LYS . . . . . . . . . . . . . 31.7 mmtp -69.33 -37.25 77.62 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.661 179.711 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1934 ' ' ALA . . . . . 0.416 ' HA ' HD12 ' A' 1950 ' ' LEU . . . -62.67 -46.93 85.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.741 176.253 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1935 ' ' GLY . . . . . . . . . . . . . . . -63.92 -40.1 97.97 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.889 -0.672 . . . . 0.0 111.907 178.293 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1936 ' ' ALA . . . . . . . . . . . . . . . -65.15 -37.15 86.48 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.771 0.32 . . . . 0.0 111.214 178.446 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1937 ' ' LEU . . . . . 0.507 ' HB2' HG22 ' A' 1946 ' ' THR . 49.1 tp -71.96 -31.62 66.48 Favored 'General case' 0 CA--C 1.515 -0.367 0 CA-C-O 120.826 0.346 . . . . 0.0 110.473 179.342 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1938 ' ' GLN . . . . . 0.588 ' HG3' ' O ' ' A' 1879 ' ' PRO . 26.5 tt0 -68.88 -26.31 65.06 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.373 0.606 . . . . 0.0 109.423 178.017 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1939 ' ' CYS . . . . . . . . . . . . . 49.5 t -81.25 -40.53 23.6 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.491 175.896 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1940 ' ' SER . . . . . . . . . . . . . 72.2 m -132.07 86.76 46.09 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.19 179.344 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1941 ' ' PRO . . . . . . . . . . . . . 3.3 Cg_exo -78.76 -13.32 14.58 Favored 'Trans proline' 0 C--N 1.344 0.307 0 C-N-CA 123.218 2.612 . . . . 0.0 112.579 -179.263 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1942 ' ' SER . . . . . . . . . . . . . 16.2 m -88.54 -4.68 58.55 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.186 0.517 . . . . 0.0 110.306 -179.363 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1943 ' ' ASP . . . . . . . . . . . . . 19.6 t70 -90.98 117.96 29.98 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.7 -0.682 . . . . 0.0 109.772 177.798 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1944 ' ' VAL . . . . . 0.428 ' O ' ' HG2' ' A' 1948 ' ' LYS . 6.0 p -75.57 -30.7 22.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-N 116.422 -0.353 . . . . 0.0 110.875 -175.475 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1945 ' ' TYR . . . . . . . . . . . . . 96.4 m-85 -60.57 -49.65 76.67 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.802 0.334 . . . . 0.0 110.761 -176.84 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1946 ' ' THR . . . . . 0.507 HG22 ' HB2' ' A' 1937 ' ' LEU . 27.7 m -58.15 -40.55 81.65 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.658 177.932 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1947 ' ' LYS . . . . . 0.411 ' O ' HD13 ' A' 1951 ' ' ILE . 6.0 ttpp -65.42 -45.3 84.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.757 -0.656 . . . . 0.0 109.936 179.175 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1948 ' ' LYS . . . . . 0.491 ' HE2' ' HA ' ' A' 1948 ' ' LYS . 8.4 mmpt? -58.68 -48.9 79.51 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.209 179.24 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1949 ' ' GLU . . . . . . . . . . . . . 49.8 mm-40 -53.6 -45.24 69.97 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.514 -0.766 . . . . 0.0 111.337 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1950 ' ' LEU . . . . . 0.416 HD12 ' HA ' ' A' 1934 ' ' ALA . 7.2 tt -58.89 -45.24 90.72 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.271 179.836 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1951 ' ' ILE . . . . . 0.591 ' HA ' HG12 ' A' 1872 ' ' VAL . 1.7 mp -62.64 -41.83 93.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.617 177.802 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1952 ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -67.79 -22.46 65.19 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.943 -178.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1953 ' ' CYS . . . . . . . . . . . . . 86.0 m -86.21 -52.16 5.82 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.428 -178.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1954 ' ' ALA . . . . . 0.549 ' HB2' HD11 ' A' 1930 ' ' LEU . . . -65.88 -33.68 76.38 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 111.613 0.227 . . . . 0.0 111.613 -176.392 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1955 ' ' ARG . . . . . . . . . . . . . 17.0 ptm180 -60.81 -32.26 71.63 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.9 0.381 . . . . 0.0 110.162 178.36 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1956 ' ' ARG . . . . . 0.506 ' O ' ' HG3' ' A' 1960 ' ' LYS . 90.7 mtt180 -75.77 -49.89 16.83 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.513 -179.748 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1957 ' ' VAL . . . . . 0.629 ' O ' HG13 ' A' 1961 ' ' VAL . 10.4 m -67.07 -26.39 36.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.588 -174.81 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1958 ' ' SER . . . . . 0.625 ' O ' HG22 ' A' 1961 ' ' VAL . 28.7 t -60.36 -32.26 71.11 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-O 121.072 0.463 . . . . 0.0 110.42 176.877 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1959 ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -81.86 -32.54 31.05 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 122.081 -0.387 . . . . 0.0 111.001 173.857 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1960 ' ' LYS . . . . . 0.96 ' HD3' ' HB3' ' A' 1922 ' ' GLU . 60.8 mttm -64.59 -33.36 75.75 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.497 -179.309 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1961 ' ' VAL . . . . . 0.76 HG21 ' HB2' ' A' 1865 ' ' ALA . 5.4 m -67.71 -34.77 69.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 N-CA-C 109.694 -0.484 . . . . 0.0 109.694 174.529 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1962 ' ' SER . . . . . 0.6 ' HA ' HD12 ' A' 1965 ' ' LEU . 29.9 t -69.65 -28.13 65.63 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.736 -0.665 . . . . 0.0 109.911 176.719 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1963 ' ' HIS . . . . . 0.481 ' HB3' ' CD ' ' A' 1919 ' ' ARG . 51.6 m170 -70.15 -34.48 73.07 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.27 178.805 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1964 ' ' VAL . . . . . 0.781 HG11 HD11 ' A' 1896 ' ' LEU . 77.7 t -67.45 -42.61 87.35 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.116 0 N-CA-C 109.136 -0.69 . . . . 0.0 109.136 173.469 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1965 ' ' LEU . . . . . 0.622 ' HG ' ' O ' ' A' 1961 ' ' VAL . 76.1 mt -57.23 -45.55 83.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.312 -0.858 . . . . 0.0 110.465 177.513 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1966 ' ' ALA . . . . . . . . . . . . . . . -69.05 -41.71 77.25 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.553 -179.392 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1967 ' ' ALA . . . . . . . . . . . . . . . -60.63 -42.64 97.31 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.029 0.442 . . . . 0.0 110.996 178.761 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1968 ' ' LEU . . . . . 0.828 ' HB3' ' HG3' ' A' 1854 ' ' GLN . 91.9 mt -71.87 -33.28 68.26 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.225 -179.711 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1969 ' ' GLN . . . . . . . . . . . . . 48.7 mt-30 -89.54 12.54 16.33 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.655 0.264 . . . . 0.0 111.299 -178.872 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1970 ' ' ALA . . . . . . . . . . . . . . . -74.75 -7.24 52.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.476 0.655 . . . . 0.0 109.952 174.245 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1971 ' ' GLY . . . . . . . . . . . . . . . -94.12 19.43 53.29 Favored Glycine 0 N--CA 1.445 -0.718 0 CA-C-N 115.474 -0.785 . . . . 0.0 111.736 175.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1972 ' ' ASN . . . . . . . . . . . . . 22.4 p-10 -78.78 175.12 10.76 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.955 -0.387 . . . . 0.0 109.955 177.83 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1973 ' ' ARG . . . . . 0.441 HH11 ' HD3' ' A' 1973 ' ' ARG . 0.7 OUTLIER . . . . . 0 C--O 1.246 0.915 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.102 -176.67 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1837 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.522 0 N-CA-C 112.084 -0.406 . . . . 0.0 112.084 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A 1838 ' ' ILE . . . . . . . . . . . . . 49.5 mt -130.56 122.25 52.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-O 120.9 0.381 . . . . 0.0 110.49 178.696 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1839 ' ' ASP . . . . . 0.472 ' HA ' ' HD3' ' A' 1840 ' ' PRO . 9.0 m-20 -73.88 141.01 78.08 Favored Pre-proline 0 C--N 1.324 -0.507 0 CA-C-N 115.683 -0.689 . . . . 0.0 110.242 177.765 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1840 ' ' PRO . . . . . 0.472 ' HD3' ' HA ' ' A' 1839 ' ' ASP . 2.2 Cg_endo -85.47 21.77 1.04 Allowed 'Trans proline' 0 N--CA 1.457 -0.662 0 C-N-CA 123.436 2.757 . . . . 0.0 112.072 -178.671 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1841 ' ' PHE . . . . . . . . . . . . . 30.5 t80 -75.94 121.95 23.45 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.408 -176.425 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1842 ' ' THR . . . . . . . . . . . . . 72.6 p 50.02 77.89 0.11 Allowed 'General case' 0 C--N 1.329 -0.287 0 O-C-N 123.983 0.802 . . . . 0.0 111.643 -178.409 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1843 ' ' MET . . . . . . . . . . . . . 75.9 mtp 61.01 79.49 0.25 Allowed 'General case' 0 C--O 1.233 0.193 0 CA-C-N 115.032 -0.985 . . . . 0.0 111.159 -179.275 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1844 ' ' GLY . . . . . . . . . . . . . . . -140.51 131.04 4.82 Favored Glycine 0 N--CA 1.446 -0.639 0 C-N-CA 120.858 -0.687 . . . . 0.0 111.968 -179.459 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1845 ' ' ASP . . . . . . . . . . . . . 34.2 t70 -115.06 121.92 34.33 Favored Pre-proline 0 C--N 1.321 -0.653 0 N-CA-C 110.092 -0.336 . . . . 0.0 110.092 179.479 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1846 ' ' PRO . . . . . . . . . . . . . 11.6 Cg_endo -57.27 -70.11 0.04 OUTLIER 'Trans proline' 0 CA--C 1.529 0.264 0 C-N-CA 123.423 2.749 . . . . 0.0 113.124 -174.024 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1847 ' ' GLU . . . . . 0.718 ' HB3' ' HG2' ' A' 1908 ' ' GLU . 0.5 OUTLIER -117.08 112.97 21.64 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.497 0.665 . . . . 0.0 110.49 178.481 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A 1848 ' ' GLY . . . . . . . . . . . . . . . -82.22 151.47 29.96 Favored Glycine 0 N--CA 1.448 -0.541 0 CA-C-N 115.461 -0.791 . . . . 0.0 113.271 -172.25 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1849 ' ' SER . . . . . . . . . . . . . 52.2 m 74.06 -11.09 1.02 Allowed 'General case' 0 N--CA 1.465 0.294 0 C-N-CA 123.573 0.749 . . . . 0.0 112.266 177.154 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1850 ' ' PHE . . . . . . . . . . . . . 63.6 t80 -61.31 -29.46 69.89 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.408 0.623 . . . . 0.0 109.424 173.926 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1851 ' ' VAL . . . . . . . . . . . . . 9.3 m -62.99 -29.29 46.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 114.897 -1.047 . . . . 0.0 111.75 -177.439 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1852 ' ' ASP . . . . . . . . . . . . . 26.9 m-20 -71.41 -49.74 38.9 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.107 0.479 . . . . 0.0 110.205 -178.35 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1853 ' ' TYR . . . . . 0.651 ' O ' HG22 ' A' 1856 ' ' THR . 49.1 m-85 -70.91 -33.48 70.58 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.037 -179.754 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1854 ' ' GLN . . . . . 0.981 ' HG3' ' HB3' ' A' 1968 ' ' LEU . 45.2 tt0 -57.72 -59.26 5.48 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.087 177.464 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1855 ' ' THR . . . . . 0.729 ' O ' ' HG2' ' A' 1859 ' ' ARG . 27.2 m -59.01 -34.87 72.38 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.577 -0.738 . . . . 0.0 111.781 -174.245 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1856 ' ' THR . . . . . 0.651 HG22 ' O ' ' A' 1853 ' ' TYR . 5.8 t -69.2 -45.41 69.96 Favored 'General case' 0 C--N 1.323 -0.554 0 C-N-CA 120.857 -0.337 . . . . 0.0 111.562 -174.551 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1857 ' ' MET . . . . . 0.462 ' HB2' HD12 ' A' 1896 ' ' LEU . 9.9 ptm -81.58 -26.95 34.53 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 111.857 0.318 . . . . 0.0 111.857 -173.142 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1858 ' ' VAL . . . . . 0.435 HG13 ' O ' ' A' 1854 ' ' GLN . 19.9 m -66.07 -29.26 46.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 C-N-CA 119.874 -0.73 . . . . 0.0 109.53 174.86 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1859 ' ' ARG . . . . . 0.729 ' HG2' ' O ' ' A' 1855 ' ' THR . 8.0 mmt180 -73.5 -41.45 63.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.122 176.771 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1860 ' ' THR . . . . . 0.431 ' O ' HG13 ' A' 1864 ' ' ILE . 5.9 m -64.4 -37.21 86.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.987 -0.552 . . . . 0.0 110.939 178.481 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1861 ' ' ALA . . . . . 0.443 ' HB1' ' HB ' ' A' 1961 ' ' VAL . . . -60.18 -41.8 93.64 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.087 0.47 . . . . 0.0 110.462 176.822 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1862 ' ' LYS . . . . . . . . . . . . . 52.9 mttm -65.49 -38.96 91.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.159 176.884 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1863 ' ' ALA . . . . . . . . . . . . . . . -62.1 -42.76 99.54 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.752 178.292 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1864 ' ' ILE . . . . . 0.583 ' O ' HG13 ' A' 1868 ' ' VAL . 58.9 mt -63.92 -45.58 96.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-O 120.921 0.391 . . . . 0.0 110.177 176.294 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1865 ' ' ALA . . . . . 0.779 ' HB2' HG21 ' A' 1961 ' ' VAL . . . -57.61 -44.79 85.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.897 -178.071 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1866 ' ' VAL . . . . . . . . . . . . . 14.6 p -67.08 -32.79 59.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 C-N-CA 120.684 -0.407 . . . . 0.0 110.38 179.853 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1867 ' ' THR . . . . . 0.622 ' O ' ' HG3' ' A' 1871 ' ' MET . 94.9 m -63.42 -53.8 46.6 Favored 'General case' 0 N--CA 1.455 -0.206 0 CA-C-N 116.688 -0.233 . . . . 0.0 110.802 176.559 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1868 ' ' VAL . . . . . 0.583 HG13 ' O ' ' A' 1864 ' ' ILE . 2.4 m -60.49 -31.89 49.95 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.242 0 CA-C-O 121.439 0.638 . . . . 0.0 110.276 -177.892 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1869 ' ' GLN . . . . . . . . . . . . . 64.0 tp60 -75.88 -32.22 59.6 Favored 'General case' 0 N--CA 1.424 -1.751 0 CA-C-N 115.141 -0.936 . . . . 0.0 110.515 -178.586 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1870 ' ' GLU . . . . . 0.558 ' O ' ' HG2' ' A' 1874 ' ' LYS . 38.8 mt-10 -68.12 -44.88 75.14 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.264 -0.425 . . . . 0.0 109.95 171.894 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1871 ' ' MET . . . . . 0.637 ' HG2' ' HB3' ' A' 1885 ' ' LEU . 67.6 mtp -55.03 -49.89 70.43 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.471 -0.786 . . . . 0.0 111.058 -177.896 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1872 ' ' VAL . . . . . 0.55 ' HB ' HG13 ' A' 1951 ' ' ILE . 34.3 m -66.68 -30.37 49.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 C-N-CA 121.059 -0.256 . . . . 0.0 111.607 -179.279 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1873 ' ' THR . . . . . . . . . . . . . 58.8 m -68.43 -48.62 64.12 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 109.68 -0.489 . . . . 0.0 109.68 175.858 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1874 ' ' LYS . . . . . 0.558 ' HG2' ' O ' ' A' 1870 ' ' GLU . 69.5 mmtt -57.69 -34.83 69.83 Favored 'General case' 0 C--O 1.212 -0.881 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.682 177.134 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1875 ' ' SER . . . . . 0.426 ' HA ' HD11 ' A' 1882 ' ' LEU . 19.3 m -61.38 -10.71 7.87 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 112.378 0.51 . . . . 0.0 112.378 -176.817 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1876 ' ' ASN . . . . . . . . . . . . . 48.8 m-80 -93.55 -37.67 11.78 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 111.908 0.336 . . . . 0.0 111.908 -179.668 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1877 ' ' THR . . . . . . . . . . . . . 67.1 p -121.25 -24.7 5.42 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.246 0.546 . . . . 0.0 112.0 -175.775 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1878 ' ' SER . . . . . . . . . . . . . 11.7 m -132.95 85.04 47.32 Favored Pre-proline 0 N--CA 1.439 -0.999 0 CA-C-N 115.486 -0.779 . . . . 0.0 112.531 -166.151 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1879 ' ' PRO . . . . . 0.781 ' HA ' HD12 ' A' 1882 ' ' LEU . 7.3 Cg_exo -67.93 -29.35 34.59 Favored 'Trans proline' 0 C--N 1.319 -1.005 0 C-N-CA 121.405 1.404 . . . . 0.0 110.88 174.327 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1880 ' ' GLU . . . . . . . . . . . . . 43.8 mp0 -66.93 -38.11 85.56 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.147 -0.933 . . . . 0.0 111.047 -175.285 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1881 ' ' GLU . . . . . 0.416 ' HG3' ' HD2' ' A' 1874 ' ' LYS . 6.7 mm-40 -67.69 -15.93 63.89 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.761 -176.713 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1882 ' ' LEU . . . . . 0.781 HD12 ' HA ' ' A' 1879 ' ' PRO . 12.3 mt -74.22 -16.22 60.97 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.795 -176.884 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1883 ' ' GLY . . . . . . . . . . . . . . . -65.15 -61.7 5.54 Favored Glycine 0 CA--C 1.52 0.373 0 C-N-CA 120.62 -0.8 . . . . 0.0 112.374 178.156 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1884 ' ' PRO . . . . . . . . . . . . . 20.5 Cg_endo -63.34 -32.83 72.04 Favored 'Trans proline' 0 C--N 1.347 0.47 0 C-N-CA 122.441 2.094 . . . . 0.0 112.67 177.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1885 ' ' LEU . . . . . 0.637 ' HB3' ' HG2' ' A' 1871 ' ' MET . 54.7 mt -65.93 -34.91 79.19 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 111.761 0.282 . . . . 0.0 111.761 -177.887 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1886 ' ' ALA . . . . . . . . . . . . . . . -64.95 -41.7 95.27 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.135 0.493 . . . . 0.0 110.18 177.152 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1887 ' ' ASN . . . . . . . . . . . . . 87.2 m-20 -71.08 -29.51 65.39 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.062 177.563 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1888 ' ' GLN . . . . . . . . . . . . . 49.3 tp60 -65.9 -51.05 62.06 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.458 177.479 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1889 ' ' LEU . . . . . 0.423 HD12 ' SD ' ' A' 1871 ' ' MET . 1.2 tt -56.46 -46.63 80.27 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.46 0.647 . . . . 0.0 109.388 177.917 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1890 ' ' THR . . . . . . . . . . . . . 56.8 m -58.17 -35.18 71.19 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.117 -0.947 . . . . 0.0 111.16 178.684 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1891 ' ' SER . . . . . . . . . . . . . 28.9 t -69.91 -50.93 37.38 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.814 178.389 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1892 ' ' ASP . . . . . . . . . . . . . 77.2 m-20 -61.71 -41.76 98.05 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.348 -176.646 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1893 ' ' TYR . . . . . . . . . . . . . 39.1 t80 -56.94 -40.81 77.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.072 178.627 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1894 ' ' GLY . . . . . . . . . . . . . . . -57.34 -33.65 66.19 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 121.184 -0.531 . . . . 0.0 112.392 -179.041 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1895 ' ' ARG . . . . . 0.464 ' HD2' ' N ' ' A' 1895 ' ' ARG . 9.0 mpt_? -77.37 -49.96 13.78 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.649 0.261 . . . . 0.0 110.357 179.336 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1896 ' ' LEU . . . . . 0.653 HD11 HG11 ' A' 1964 ' ' VAL . 66.5 tp -55.46 -46.78 76.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.437 -177.847 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1897 ' ' ALA . . . . . . . . . . . . . . . -67.27 -27.05 66.88 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.446 -177.721 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1898 ' ' SER . . . . . . . . . . . . . 18.8 t -81.89 -29.27 32.48 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.334 0.588 . . . . 0.0 110.045 -176.166 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1899 ' ' GLN . . . . . 0.416 ' OE1' ' HA ' ' A' 1857 ' ' MET . 83.1 mt-30 -79.29 -12.06 59.94 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.397 -0.819 . . . . 0.0 110.453 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1900 ' ' ALA . . . . . 0.416 ' HA ' ' HE1' ' A' 1857 ' ' MET . . . -74.53 -35.96 63.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.677 -0.692 . . . . 0.0 111.838 -179.083 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1901 ' ' LYS . . . . . 0.513 ' HB3' ' HD3' ' A' 1902 ' ' PRO . 2.3 tmmm? -62.93 -57.75 19.87 Favored Pre-proline 0 CA--C 1.541 0.622 0 CA-C-N 116.52 -0.309 . . . . 0.0 111.144 -175.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1902 ' ' PRO . . . . . 0.513 ' HD3' ' HB3' ' A' 1901 ' ' LYS . 44.3 Cg_endo -67.46 -19.7 48.74 Favored 'Trans proline' 0 C--N 1.354 0.857 0 C-N-CA 121.934 1.756 . . . . 0.0 112.738 -177.804 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1903 ' ' ALA . . . . . . . . . . . . . . . -76.66 -33.66 58.29 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.095 0.474 . . . . 0.0 110.533 178.23 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1904 ' ' ALA . . . . . . . . . . . . . . . -71.27 -32.95 69.31 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.581 -177.092 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1905 ' ' VAL . . . . . . . . . . . . . 36.0 m -88.39 -15.69 9.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 115.639 -0.71 . . . . 0.0 110.987 179.449 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1906 ' ' ALA . . . . . . . . . . . . . . . -76.06 -43.9 41.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.271 -0.422 . . . . 0.0 109.94 176.641 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1907 ' ' ALA . . . . . . . . . . . . . . . -73.03 135.04 44.85 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.76 -0.654 . . . . 0.0 110.12 176.423 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1908 ' ' GLU . . . . . 0.718 ' HG2' ' HB3' ' A' 1847 ' ' GLU . 12.0 pt-20 -90.02 -21.1 22.53 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 120.888 0.375 . . . . 0.0 110.596 -177.565 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1909 ' ' ASN . . . . . . . . . . . . . 51.3 m-80 -76.55 144.39 39.72 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.054 0.454 . . . . 0.0 110.481 177.665 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1910 ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -60.81 -53.97 50.85 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.281 -0.872 . . . . 0.0 111.488 -177.884 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1911 ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 -68.05 -43.11 79.41 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.761 -0.654 . . . . 0.0 112.282 -171.635 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1912 ' ' ILE . . . . . 0.589 ' O ' HG13 ' A' 1916 ' ' ILE . 57.9 mt -53.67 -53.71 24.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 C-N-CA 120.927 -0.309 . . . . 0.0 110.438 -177.043 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1913 ' ' GLY . . . . . 0.578 ' HA2' HD12 ' A' 1916 ' ' ILE . . . -69.76 -28.35 72.16 Favored Glycine 0 CA--C 1.519 0.335 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.786 -179.884 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1914 ' ' ALA . . . . . . . . . . . . . . . -75.68 -40.65 55.56 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.655 0.264 . . . . 0.0 111.108 -177.161 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1915 ' ' HIS . . . . . 0.43 ' O ' ' HG2' ' A' 1919 ' ' ARG . 82.2 m-70 -67.04 -35.18 79.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.849 -179.205 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1916 ' ' ILE . . . . . 0.589 HG13 ' O ' ' A' 1912 ' ' ILE . 97.8 mt -53.35 -59.23 1.93 Allowed 'Isoleucine or valine' 0 C--O 1.233 0.219 0 CA-C-N 115.657 -0.701 . . . . 0.0 111.165 178.913 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1917 ' ' LYS . . . . . 0.421 ' HE3' ' HB2' ' A' 1917 ' ' LYS . 51.8 mtmt -69.66 -27.45 65.04 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.28 -177.42 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1918 ' ' HIS . . . . . 0.443 ' O ' ' HG3' ' A' 1922 ' ' GLU . 41.6 t-80 -64.93 -46.16 82.79 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.973 0.416 . . . . 0.0 110.574 -178.766 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1919 ' ' ARG . . . . . 0.43 ' HG2' ' O ' ' A' 1915 ' ' HIS . 29.6 mmt180 -71.53 -37.65 71.14 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.633 -174.778 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1920 ' ' VAL . . . . . . . . . . . . . 23.2 m -71.7 -28.84 32.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.937 0.399 . . . . 0.0 110.382 179.031 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1921 ' ' GLN . . . . . . . . . . . . . 28.9 tt0 -66.78 -42.56 85.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.972 -0.558 . . . . 0.0 109.975 175.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1922 ' ' GLU . . . . . 0.443 ' HG3' ' O ' ' A' 1918 ' ' HIS . 40.3 mt-10 -65.08 -40.25 94.39 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.27 176.277 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1923 ' ' LEU . . . . . 0.454 HD21 ' HB2' ' A' 1960 ' ' LYS . 30.0 mt -64.57 -33.15 75.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.165 177.643 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1924 ' ' GLY . . . . . . . . . . . . . . . -53.91 -45.09 71.57 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 121.273 -0.489 . . . . 0.0 112.806 179.706 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1925 ' ' HIS . . . . . . . . . . . . . 27.7 m80 -78.4 -31.87 48.48 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.917 0.389 . . . . 0.0 110.458 -178.8 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1926 ' ' GLY . . . . . . . . . . . . . . . -69.92 -40.43 74.15 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.207 179.668 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1927 ' ' CYS . . . . . . . . . . . . . 66.7 m -66.19 -43.13 87.72 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.463 0.173 . . . . 0.0 110.784 179.358 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1928 ' ' SER . . . . . . . . . . . . . 21.9 p -65.64 -33.56 76.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.953 0.406 . . . . 0.0 110.665 -178.571 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1929 ' ' ALA . . . . . . . . . . . . . . . -69.38 -45.51 69.14 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.332 176.499 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1930 ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -62.18 -50.23 72.63 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.636 -178.147 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1931 ' ' VAL . . . . . . . . . . . . . 27.6 m -63.08 -28.37 44.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-O 120.7 0.286 . . . . 0.0 111.324 -177.027 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1932 ' ' THR . . . . . . . . . . . . . 86.0 m -72.06 -41.53 67.29 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-O 120.819 0.342 . . . . 0.0 110.23 176.462 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1933 ' ' LYS . . . . . . . . . . . . . 73.6 mmtt -65.53 -40.66 93.18 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.444 176.535 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1934 ' ' ALA . . . . . . . . . . . . . . . -60.5 -48.59 81.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.577 177.174 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1935 ' ' GLY . . . . . . . . . . . . . . . -63.8 -30.27 77.2 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.926 -0.654 . . . . 0.0 112.389 178.71 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1936 ' ' ALA . . . . . . . . . . . . . . . -74.46 -46.54 39.09 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.42 0.152 . . . . 0.0 111.018 179.764 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1937 ' ' LEU . . . . . 0.499 ' CD1' ' HA ' ' A' 1941 ' ' PRO . 30.6 tp -68.17 -28.92 67.7 Favored 'General case' 0 CA--C 1.518 -0.278 0 CA-C-O 121.369 0.604 . . . . 0.0 110.189 179.82 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1938 ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -64.8 -27.85 69.16 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.325 -0.852 . . . . 0.0 109.618 178.138 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1939 ' ' CYS . . . . . . . . . . . . . 58.7 m -86.22 -44.41 12.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.466 176.256 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1940 ' ' SER . . . . . . . . . . . . . 74.5 m -129.09 93.13 37.39 Favored Pre-proline 0 C--N 1.327 -0.41 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.275 -179.882 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1941 ' ' PRO . . . . . 0.499 ' HA ' ' CD1' ' A' 1937 ' ' LEU . 83.2 Cg_endo -84.68 -8.69 9.28 Favored 'Trans proline' 0 CA--C 1.53 0.32 0 C-N-CA 122.896 2.397 . . . . 0.0 113.641 -177.282 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1942 ' ' SER . . . . . . . . . . . . . 38.6 m -86.83 -13.88 43.74 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.914 0.387 . . . . 0.0 111.196 -176.687 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1943 ' ' ASP . . . . . . . . . . . . . 14.8 t70 -86.27 114.63 23.24 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.942 -0.572 . . . . 0.0 109.615 177.484 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1944 ' ' VAL . . . . . . . . . . . . . 3.7 p -72.59 -29.2 29.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.875 -174.166 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1945 ' ' TYR . . . . . . . . . . . . . 92.9 m-85 -66.03 -37.28 85.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.13 0.491 . . . . 0.0 110.411 -178.85 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1946 ' ' THR . . . . . . . . . . . . . 31.6 m -64.64 -41.53 96.07 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.095 175.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1947 ' ' LYS . . . . . 0.401 ' HB3' ' HE2' ' A' 1947 ' ' LYS . 34.2 ttpt -70.92 -44.89 65.22 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.868 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1948 ' ' LYS . . . . . 0.497 ' HE2' ' HA ' ' A' 1948 ' ' LYS . 6.2 mmpt? -53.14 -53.7 46.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.149 -177.493 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1949 ' ' GLU . . . . . . . . . . . . . 62.7 mm-40 -59.94 -29.57 68.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.89 -178.264 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1950 ' ' LEU . . . . . 0.431 HD11 HD22 ' A' 1882 ' ' LEU . 6.3 tt -64.69 -55.27 21.1 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.426 -0.583 . . . . 0.0 109.426 178.329 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1951 ' ' ILE . . . . . 0.55 HG13 ' HB ' ' A' 1872 ' ' VAL . 2.2 mp -63.23 -46.46 95.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.588 179.816 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1952 ' ' GLU . . . . . 0.461 ' O ' ' HG3' ' A' 1956 ' ' ARG . 52.4 mt-10 -64.04 -25.79 68.27 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.593 -177.599 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1953 ' ' CYS . . . . . . . . . . . . . 20.2 t -80.75 -40.4 25.25 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.834 0.349 . . . . 0.0 110.367 178.157 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1954 ' ' ALA . . . . . . . . . . . . . . . -63.71 -39.26 93.86 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.682 -178.087 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1955 ' ' ARG . . . . . 0.412 ' HA ' ' OG ' ' A' 1958 ' ' SER . 0.0 OUTLIER -70.79 -22.91 62.31 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.694 0.283 . . . . 0.0 110.964 179.073 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A 1956 ' ' ARG . . . . . 0.565 ' O ' ' HG2' ' A' 1960 ' ' LYS . 81.7 mtp180 -75.74 -41.23 53.9 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.58 -0.282 . . . . 0.0 110.572 176.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1957 ' ' VAL . . . . . 0.505 ' O ' HG13 ' A' 1961 ' ' VAL . 12.3 m -78.02 -22.97 13.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 C-N-CA 120.96 -0.296 . . . . 0.0 111.474 -177.341 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1958 ' ' SER . . . . . 0.531 ' O ' HG22 ' A' 1961 ' ' VAL . 1.3 p -69.61 -26.94 64.68 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 111.61 0.226 . . . . 0.0 111.61 -177.831 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1959 ' ' GLU . . . . . 0.431 ' HG2' ' O ' ' A' 1956 ' ' ARG . 12.6 pt-20 -80.94 -26.62 36.54 Favored 'General case' 0 C--N 1.331 -0.218 0 C-N-CA 120.195 -0.602 . . . . 0.0 109.801 172.823 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1960 ' ' LYS . . . . . 0.565 ' HG2' ' O ' ' A' 1956 ' ' ARG . 12.5 mmmm -71.04 -35.98 72.19 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.478 -179.701 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1961 ' ' VAL . . . . . 0.779 HG21 ' HB2' ' A' 1865 ' ' ALA . 5.9 m -66.01 -33.49 63.92 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.168 0 CA-C-O 120.952 0.406 . . . . 0.0 109.943 176.054 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1962 ' ' SER . . . . . 0.691 ' HA ' HD12 ' A' 1965 ' ' LEU . 42.2 t -65.92 -27.1 67.93 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 121.354 0.597 . . . . 0.0 109.962 176.794 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1963 ' ' HIS . . . . . . . . . . . . . 62.6 m170 -79.76 -23.96 41.87 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.872 -0.603 . . . . 0.0 110.284 -179.038 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1964 ' ' VAL . . . . . 0.653 HG11 HD11 ' A' 1896 ' ' LEU . 97.8 t -66.5 -46.84 85.46 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.2 0 N-CA-C 108.368 -0.975 . . . . 0.0 108.368 168.171 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1965 ' ' LEU . . . . . 0.691 HD12 ' HA ' ' A' 1962 ' ' SER . 51.1 mt -52.87 -47.57 67.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.135 -0.939 . . . . 0.0 110.391 177.656 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1966 ' ' ALA . . . . . . . . . . . . . . . -68.86 -43.67 74.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.887 -179.243 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1967 ' ' ALA . . . . . . . . . . . . . . . -57.46 -42.49 82.65 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-O 121.006 0.431 . . . . 0.0 111.071 -179.07 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1968 ' ' LEU . . . . . 0.981 ' HB3' ' HG3' ' A' 1854 ' ' GLN . 4.3 mm? -73.42 -41.15 63.63 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.882 179.015 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1969 ' ' GLN . . . . . . . . . . . . . 46.5 mt-30 -72.92 -3.58 26.7 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 111.704 0.261 . . . . 0.0 111.704 -178.645 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1970 ' ' ALA . . . . . . . . . . . . . . . -66.76 -19.34 65.73 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.107 0.48 . . . . 0.0 110.408 175.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1971 ' ' GLY . . . . . . . . . . . . . . . -82.89 -4.76 89.88 Favored Glycine 0 N--CA 1.449 -0.437 0 CA-C-N 115.737 -0.665 . . . . 0.0 112.328 177.433 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1972 ' ' ASN . . . . . . . . . . . . . 18.5 m120 -89.19 150.24 22.76 Favored 'General case' 0 CA--C 1.517 -0.315 0 CA-C-O 120.842 0.353 . . . . 0.0 110.799 179.314 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1973 ' ' ARG . . . . . . . . . . . . . 55.8 ttt180 . . . . . 0 C--O 1.246 0.903 0 CA-C-N 115.451 -0.795 . . . . 0.0 109.232 178.286 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A 1837 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.734 0 N-CA-C 112.446 -0.262 . . . . 0.0 112.446 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A 1838 ' ' ILE . . . . . 0.706 HD13 ' H ' ' A' 1839 ' ' ASP . 0.4 OUTLIER -108.03 148.51 12.07 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 N-CA-C 109.215 -0.661 . . . . 0.0 109.215 177.195 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A 1839 ' ' ASP . . . . . 0.706 ' H ' HD13 ' A' 1838 ' ' ILE . 0.6 OUTLIER -86.79 144.22 36.73 Favored Pre-proline 0 C--N 1.322 -0.614 0 N-CA-C 109.911 -0.403 . . . . 0.0 109.911 -178.007 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A 1840 ' ' PRO . . . . . 0.43 ' HD2' ' CG ' ' A' 1839 ' ' ASP . 18.8 Cg_endo -62.81 -15.83 49.61 Favored 'Trans proline' 0 C--O 1.234 0.305 0 C-N-CA 123.157 2.571 . . . . 0.0 112.844 -178.16 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1841 ' ' PHE . . . . . . . . . . . . . 45.6 p90 -146.28 -177.21 5.5 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.203 -0.453 . . . . 0.0 109.872 175.362 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1842 ' ' THR . . . . . 0.606 ' OG1' ' HA ' ' A' 1846 ' ' PRO . 34.1 p -126.9 154.8 43.97 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.381 -174.653 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1843 ' ' MET . . . . . . . . . . . . . 1.2 pmm? -86.86 159.54 19.03 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.427 -179.028 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1844 ' ' GLY . . . . . . . . . . . . . . . 82.14 -82.66 1.59 Allowed Glycine 0 N--CA 1.449 -0.484 0 N-CA-C 110.644 -0.982 . . . . 0.0 110.644 -175.663 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1845 ' ' ASP . . . . . 0.418 ' HA ' ' HD3' ' A' 1846 ' ' PRO . 3.3 t70 -133.04 129.03 20.86 Favored Pre-proline 0 C--N 1.323 -0.578 0 N-CA-C 108.702 -0.851 . . . . 0.0 108.702 172.758 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1846 ' ' PRO . . . . . 0.606 ' HA ' ' OG1' ' A' 1842 ' ' THR . 95.7 Cg_endo -92.6 89.74 0.19 Allowed 'Trans proline' 0 N--CA 1.45 -1.069 0 C-N-CA 123.549 2.833 . . . . 0.0 113.384 -174.447 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1847 ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -88.95 -18.24 27.86 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.364 0.602 . . . . 0.0 109.394 172.735 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1848 ' ' GLY . . . . . . . . . . . . . . . 71.93 -142.04 32.65 Favored Glycine 0 N--CA 1.449 -0.47 0 CA-C-N 115.211 -0.904 . . . . 0.0 113.443 172.567 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1849 ' ' SER . . . . . . . . . . . . . 12.5 p -78.88 8.85 4.87 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 112.093 0.405 . . . . 0.0 112.093 -175.518 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1850 ' ' PHE . . . . . 0.404 ' CZ ' HG21 ' A' 1912 ' ' ILE . 87.2 t80 -59.53 -23.94 63.26 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.196 0.522 . . . . 0.0 110.157 175.919 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1851 ' ' VAL . . . . . . . . . . . . . 23.6 m -60.09 -31.24 47.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.183 178.701 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1852 ' ' ASP . . . . . . . . . . . . . 20.4 t70 -74.08 -45.82 46.87 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.187 0.518 . . . . 0.0 110.008 -179.733 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1853 ' ' TYR . . . . . 0.565 ' CE1' ' HB2' ' A' 1902 ' ' PRO . 59.7 m-85 -69.56 -24.1 63.66 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.452 -0.794 . . . . 0.0 110.58 -179.765 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1854 ' ' GLN . . . . . 0.949 ' HG3' ' HB3' ' A' 1968 ' ' LEU . 44.5 tt0 -73.4 -55.45 6.36 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.289 174.13 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1855 ' ' THR . . . . . 0.405 ' HA ' HG22 ' A' 1858 ' ' VAL . 39.4 m -59.01 -38.71 79.86 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.03 -0.532 . . . . 0.0 112.046 -175.878 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1856 ' ' THR . . . . . 0.454 HG23 ' N ' ' A' 1857 ' ' MET . 9.7 t -58.62 -50.45 73.77 Favored 'General case' 0 CA--C 1.537 0.449 0 N-CA-C 111.872 0.323 . . . . 0.0 111.872 -176.342 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1857 ' ' MET . . . . . 0.626 ' SD ' HD21 ' A' 1968 ' ' LEU . 6.4 ptp -81.8 -31.11 31.95 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 112.156 0.428 . . . . 0.0 112.156 -174.833 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1858 ' ' VAL . . . . . 0.464 HG13 ' O ' ' A' 1854 ' ' GLN . 23.4 m -66.78 -36.34 76.96 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.178 0 C-N-CA 119.938 -0.705 . . . . 0.0 110.181 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1859 ' ' ARG . . . . . 0.548 ' HA ' ' HD2' ' A' 1862 ' ' LYS . 6.3 mpt_? -62.22 -42.38 99.25 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-O 121.254 0.55 . . . . 0.0 110.169 172.572 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1860 ' ' THR . . . . . . . . . . . . . 31.6 m -66.93 -40.6 87.66 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.365 -0.834 . . . . 0.0 111.138 -179.042 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1861 ' ' ALA . . . . . . . . . . . . . . . -60.59 -38.61 85.2 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.839 0.352 . . . . 0.0 110.777 178.68 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1862 ' ' LYS . . . . . 0.548 ' HD2' ' HA ' ' A' 1859 ' ' ARG . 40.8 mttm -62.91 -42.65 99.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.28 176.747 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1863 ' ' ALA . . . . . . . . . . . . . . . -66.98 -37.29 83.97 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.774 -179.79 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1864 ' ' ILE . . . . . . . . . . . . . 80.1 mt -64.21 -45.44 96.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.141 175.117 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1865 ' ' ALA . . . . . 0.82 ' HB2' HG21 ' A' 1961 ' ' VAL . . . -59.64 -44.47 93.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.059 -0.519 . . . . 0.0 112.074 -178.768 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1866 ' ' VAL . . . . . 0.611 ' HA ' ' HG2' ' A' 1869 ' ' GLN . 12.5 p -71.59 -33.64 49.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 C-N-CA 120.354 -0.539 . . . . 0.0 110.421 179.3 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1867 ' ' THR . . . . . 0.672 ' O ' ' HG3' ' A' 1871 ' ' MET . 90.0 m -62.68 -51.48 67.07 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.553 0.216 . . . . 0.0 110.472 177.07 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1868 ' ' VAL . . . . . 0.53 ' HA ' ' SD ' ' A' 1871 ' ' MET . 30.6 m -64.17 -31.64 54.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.077 -177.344 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1869 ' ' GLN . . . . . 0.611 ' HG2' ' HA ' ' A' 1866 ' ' VAL . 7.6 pt20 -76.95 -30.22 55.95 Favored 'General case' 0 N--CA 1.453 -0.286 0 C-N-CA 120.485 -0.486 . . . . 0.0 110.174 179.043 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1870 ' ' GLU . . . . . 0.471 ' HG3' ' O ' ' A' 1866 ' ' VAL . 47.6 mt-10 -63.27 -39.0 93.35 Favored 'General case' 0 C--O 1.223 -0.296 0 N-CA-C 109.556 -0.535 . . . . 0.0 109.556 172.404 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1871 ' ' MET . . . . . 0.672 ' HG3' ' O ' ' A' 1867 ' ' THR . 39.2 mtp -59.46 -41.16 89.07 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.813 -179.779 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1872 ' ' VAL . . . . . 1.1 ' HB ' HG13 ' A' 1951 ' ' ILE . 1.5 m -73.99 -28.27 23.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 121.361 0.6 . . . . 0.0 110.596 179.589 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1873 ' ' THR . . . . . . . . . . . . . 38.7 m -77.25 -46.11 24.19 Favored 'General case' 0 N--CA 1.443 -0.818 0 CA-C-N 115.467 -0.788 . . . . 0.0 110.702 -179.352 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1874 ' ' LYS . . . . . 0.489 ' HG3' HD11 ' A' 1885 ' ' LEU . 70.4 mmtt -65.15 -46.26 81.61 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.791 -0.64 . . . . 0.0 111.159 -178.425 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1875 ' ' SER . . . . . 0.553 ' HB3' HD11 ' A' 1882 ' ' LEU . 7.9 p -55.13 -20.03 9.11 Favored 'General case' 0 N--CA 1.467 0.417 0 N-CA-C 113.28 0.844 . . . . 0.0 113.28 -171.705 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1876 ' ' ASN . . . . . . . . . . . . . 93.1 m-20 -66.36 -36.79 83.78 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.746 0.308 . . . . 0.0 111.296 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1877 ' ' THR . . . . . . . . . . . . . 81.2 p -121.24 -31.14 4.17 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.412 0.625 . . . . 0.0 111.322 -179.499 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1878 ' ' SER . . . . . . . . . . . . . 22.7 m -126.01 101.43 29.09 Favored Pre-proline 0 C--N 1.319 -0.734 0 CA-C-N 115.479 -0.782 . . . . 0.0 111.044 -170.801 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1879 ' ' PRO . . . . . 0.778 ' HA ' HD12 ' A' 1882 ' ' LEU . 64.3 Cg_endo -84.05 -28.03 1.36 Allowed 'Trans proline' 0 N--CA 1.446 -1.28 0 C-N-CA 121.316 1.344 . . . . 0.0 111.738 175.657 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1880 ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -68.43 -29.83 68.57 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.763 178.501 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1881 ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -61.79 -13.91 28.01 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.435 178.308 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1882 ' ' LEU . . . . . 0.778 HD12 ' HA ' ' A' 1879 ' ' PRO . 0.8 OUTLIER -86.26 -7.13 58.75 Favored 'General case' 0 N--CA 1.438 -1.048 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.492 -175.458 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A 1883 ' ' GLY . . . . . 0.408 ' N ' ' HD2' ' A' 1884 ' ' PRO . . . -66.15 -60.35 6.48 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.677 -0.773 . . . . 0.0 111.844 175.44 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1884 ' ' PRO . . . . . 0.408 ' HD2' ' N ' ' A' 1883 ' ' GLY . 18.5 Cg_endo -60.09 -32.98 95.47 Favored 'Trans proline' 0 C--N 1.348 0.501 0 C-N-CA 122.644 2.23 . . . . 0.0 112.206 176.563 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1885 ' ' LEU . . . . . 0.489 HD11 ' HG3' ' A' 1874 ' ' LYS . 73.1 mt -69.77 -40.06 76.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.654 -179.094 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1886 ' ' ALA . . . . . . . . . . . . . . . -63.43 -44.93 93.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.104 0.478 . . . . 0.0 110.26 177.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1887 ' ' ASN . . . . . . . . . . . . . 58.9 t30 -63.16 -38.33 90.75 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.694 -0.685 . . . . 0.0 110.098 176.504 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1888 ' ' GLN . . . . . 0.427 ' HG3' HG21 ' A' 1867 ' ' THR . 30.9 tp60 -63.19 -48.22 79.26 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.895 179.275 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1889 ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -57.2 -44.53 83.75 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.397 0.618 . . . . 0.0 109.407 177.151 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1890 ' ' THR . . . . . . . . . . . . . 57.2 m -60.52 -47.68 85.09 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.24 -0.891 . . . . 0.0 111.462 -179.264 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1891 ' ' SER . . . . . . . . . . . . . 33.1 m -66.79 -43.78 83.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.694 0.283 . . . . 0.0 111.462 -177.726 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1892 ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -69.05 -40.48 78.51 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.643 -0.253 . . . . 0.0 111.474 -177.168 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1893 ' ' TYR . . . . . . . . . . . . . 51.8 t80 -58.5 -33.27 69.62 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-O 120.908 0.385 . . . . 0.0 110.558 176.351 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1894 ' ' GLY . . . . . . . . . . . . . . . -59.6 -30.26 68.41 Favored Glycine 0 N--CA 1.45 -0.43 0 C-N-CA 121.097 -0.573 . . . . 0.0 112.171 178.639 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1895 ' ' ARG . . . . . . . . . . . . . 35.7 ttt180 -78.43 -39.67 38.1 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.042 0.449 . . . . 0.0 110.31 178.282 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1896 ' ' LEU . . . . . 0.452 HD12 ' HB2' ' A' 1857 ' ' MET . 59.5 tp -61.42 -49.15 78.02 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.891 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1897 ' ' ALA . . . . . . . . . . . . . . . -69.95 -25.05 63.46 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.782 -176.099 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1898 ' ' SER . . . . . . . . . . . . . 11.3 p -82.1 -46.44 13.85 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.918 0.39 . . . . 0.0 110.162 -176.827 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1899 ' ' GLN . . . . . . . . . . . . . 22.9 mm-40 -70.56 -11.6 61.03 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.897 179.671 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1900 ' ' ALA . . . . . 0.537 ' HA ' ' HE3' ' A' 1857 ' ' MET . . . -67.74 -28.56 67.74 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.864 176.68 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1901 ' ' LYS . . . . . 0.418 ' HB3' ' CD ' ' A' 1902 ' ' PRO . 22.3 tptm -71.92 -57.69 3.84 Favored Pre-proline 0 CA--C 1.537 0.466 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.362 -177.69 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1902 ' ' PRO . . . . . 0.596 ' HA ' HG22 ' A' 1905 ' ' VAL . 29.9 Cg_endo -64.08 -24.38 66.53 Favored 'Trans proline' 0 C--N 1.356 0.932 0 C-N-CA 121.774 1.649 . . . . 0.0 112.164 178.097 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1903 ' ' ALA . . . . . . . . . . . . . . . -71.18 -38.2 72.14 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.884 0.373 . . . . 0.0 110.77 177.117 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1904 ' ' ALA . . . . . . . . . . . . . . . -75.21 -31.35 60.86 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.839 -176.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1905 ' ' VAL . . . . . 0.596 HG22 ' HA ' ' A' 1902 ' ' PRO . 22.7 m -84.71 -17.99 9.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.506 -178.225 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1906 ' ' ALA . . . . . . . . . . . . . . . -102.62 0.35 33.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.614 0.245 . . . . 0.0 110.687 177.424 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1907 ' ' ALA . . . . . . . . . . . . . . . -64.78 135.93 56.34 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.571 179.516 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1908 ' ' GLU . . . . . 0.537 ' OE1' HD12 ' A' 1912 ' ' ILE . 0.0 OUTLIER -89.35 -29.14 19.34 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 121.081 0.467 . . . . 0.0 110.889 -177.252 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A 1909 ' ' ASN . . . . . 0.4 ' OD1' ' HA2' ' A' 1971 ' ' GLY . 12.4 m120 -97.63 166.36 11.54 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.201 0.524 . . . . 0.0 111.524 179.047 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1910 ' ' GLU . . . . . . . . . . . . . 12.1 tp10 -72.42 -53.88 10.94 Favored 'General case' 0 CA--C 1.513 -0.472 0 CA-C-N 115.423 -0.808 . . . . 0.0 110.551 -179.704 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1911 ' ' GLU . . . . . 0.488 ' HB3' ' CD2' ' A' 1915 ' ' HIS . 1.8 mt-10 -72.69 -33.91 66.81 Favored 'General case' 0 N--CA 1.442 -0.827 0 CA-C-N 114.782 -1.099 . . . . 0.0 112.174 -169.414 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1912 ' ' ILE . . . . . 0.576 ' O ' HG13 ' A' 1916 ' ' ILE . 48.7 mt -57.1 -53.71 39.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 C-N-CA 120.702 -0.399 . . . . 0.0 110.66 -178.148 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1913 ' ' GLY . . . . . . . . . . . . . . . -62.08 -32.33 81.93 Favored Glycine 0 N--CA 1.453 -0.227 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.241 179.596 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1914 ' ' ALA . . . . . . . . . . . . . . . -73.55 -44.23 57.97 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.931 0.395 . . . . 0.0 110.757 179.451 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1915 ' ' HIS . . . . . 0.494 ' O ' ' HG2' ' A' 1919 ' ' ARG . 78.3 m-70 -68.02 -37.86 81.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.355 -177.256 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1916 ' ' ILE . . . . . 0.576 HG13 ' O ' ' A' 1912 ' ' ILE . 89.2 mt -51.41 -58.06 2.51 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.161 0 O-C-N 123.363 0.414 . . . . 0.0 111.272 179.823 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1917 ' ' LYS . . . . . . . . . . . . . 52.7 mtmt -69.37 -24.22 63.85 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.505 -176.255 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1918 ' ' HIS . . . . . 0.412 ' O ' ' HG3' ' A' 1922 ' ' GLU . 5.8 m80 -69.35 -52.76 24.04 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.744 0.307 . . . . 0.0 110.83 175.04 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1919 ' ' ARG . . . . . 0.494 ' HG2' ' O ' ' A' 1915 ' ' HIS . 26.3 mmt180 -68.76 -39.06 80.44 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.099 -0.501 . . . . 0.0 112.033 -171.872 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1920 ' ' VAL . . . . . . . . . . . . . 30.6 m -64.75 -29.2 46.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.924 0.392 . . . . 0.0 110.494 179.078 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1921 ' ' GLN . . . . . . . . . . . . . 33.3 tt0 -71.28 -42.77 68.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.309 0.576 . . . . 0.0 110.488 178.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1922 ' ' GLU . . . . . 0.412 ' HG3' ' O ' ' A' 1918 ' ' HIS . 37.7 mt-10 -72.34 -31.33 65.54 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.708 0.766 . . . . 0.0 108.996 -176.551 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1923 ' ' LEU . . . . . 0.639 ' HG ' ' HB3' ' A' 1960 ' ' LYS . 0.7 OUTLIER -69.61 -47.66 62.7 Favored 'General case' 0 N--CA 1.446 -0.635 0 CA-C-N 114.667 -1.151 . . . . 0.0 109.781 176.679 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A 1924 ' ' GLY . . . . . . . . . . . . . . . -61.01 -39.93 97.77 Favored Glycine 0 N--CA 1.451 -0.336 0 CA-C-N 115.785 -0.643 . . . . 0.0 113.326 -177.714 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1925 ' ' HIS . . . . . . . . . . . . . 20.6 m-70 -62.43 -31.35 72.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.862 0.363 . . . . 0.0 110.816 178.555 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1926 ' ' GLY . . . . . 0.523 ' HA3' HG12 ' A' 1957 ' ' VAL . . . -77.01 -34.68 41.29 Favored Glycine 0 N--CA 1.448 -0.504 0 C-N-CA 120.543 -0.837 . . . . 0.0 111.633 175.187 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1927 ' ' CYS . . . . . . . . . . . . . 64.0 m -63.81 -47.37 81.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.729 0.3 . . . . 0.0 110.683 178.534 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1928 ' ' SER . . . . . . . . . . . . . 5.5 p -60.96 -37.32 81.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.063 -178.906 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1929 ' ' ALA . . . . . . . . . . . . . . . -69.13 -42.89 75.42 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.046 0.451 . . . . 0.0 110.54 176.47 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1930 ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -63.45 -49.63 72.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.276 -177.593 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1931 ' ' VAL . . . . . . . . . . . . . 27.8 m -61.95 -27.13 41.75 Favored 'Isoleucine or valine' 0 C--O 1.234 0.282 0 CA-C-O 120.822 0.344 . . . . 0.0 111.22 -178.096 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1932 ' ' THR . . . . . . . . . . . . . 55.7 m -70.96 -46.31 62.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.456 176.362 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1933 ' ' LYS . . . . . . . . . . . . . 33.7 mmtp -71.64 -30.72 66.07 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.363 -0.381 . . . . 0.0 111.224 -178.391 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1934 ' ' ALA . . . . . 0.42 ' HB1' ' HB3' ' A' 1882 ' ' LEU . . . -59.46 -53.61 56.11 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.99 0.424 . . . . 0.0 111.372 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1935 ' ' GLY . . . . . . . . . . . . . . . -70.74 -25.17 76.19 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 121.149 -0.548 . . . . 0.0 112.039 178.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1936 ' ' ALA . . . . . . . . . . . . . . . -75.0 -39.02 61.44 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.668 0.27 . . . . 0.0 110.747 179.393 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1937 ' ' LEU . . . . . 0.417 ' HB2' HG22 ' A' 1946 ' ' THR . 61.2 tp -66.01 -37.82 86.89 Favored 'General case' 0 CA--C 1.517 -0.317 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.066 -179.748 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1938 ' ' GLN . . . . . 0.699 ' HA ' ' HB2' ' A' 1879 ' ' PRO . 3.1 pt20 -73.66 -25.08 60.09 Favored 'General case' 0 C--N 1.322 -0.589 0 C-N-CA 119.782 -0.767 . . . . 0.0 110.526 178.021 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1939 ' ' CYS . . . . . . . . . . . . . 16.6 t -82.39 -11.43 58.56 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.152 0.501 . . . . 0.0 110.228 176.046 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1940 ' ' SER . . . . . . . . . . . . . 48.2 m -146.73 71.83 12.59 Favored Pre-proline 0 C--N 1.326 -0.436 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.675 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1941 ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -77.26 -6.41 16.45 Favored 'Trans proline' 0 C--N 1.344 0.328 0 C-N-CA 122.508 2.138 . . . . 0.0 112.842 -174.597 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1942 ' ' SER . . . . . . . . . . . . . 33.3 t -91.99 2.18 56.71 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.939 0.399 . . . . 0.0 110.447 -179.35 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1943 ' ' ASP . . . . . . . . . . . . . 17.3 t70 -109.14 106.36 16.21 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.307 179.63 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1944 ' ' VAL . . . . . 0.482 ' O ' ' HG2' ' A' 1948 ' ' LYS . 10.8 p -71.93 -25.9 24.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.895 -176.752 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1945 ' ' TYR . . . . . . . . . . . . . 89.7 m-85 -68.58 -38.05 80.38 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.733 -176.568 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1946 ' ' THR . . . . . 0.417 HG22 ' HB2' ' A' 1937 ' ' LEU . 92.1 m -59.28 -38.22 79.62 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.352 174.589 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1947 ' ' LYS . . . . . 0.494 ' HG3' ' HB2' ' A' 1875 ' ' SER . 15.1 ttpp -68.65 -43.55 76.03 Favored 'General case' 0 N--CA 1.453 -0.283 0 CA-C-N 116.079 -0.509 . . . . 0.0 109.829 176.863 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1948 ' ' LYS . . . . . 0.59 ' O ' ' HG2' ' A' 1952 ' ' GLU . 7.7 mmpt? -53.9 -53.05 58.07 Favored 'General case' 0 C--N 1.332 -0.152 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.535 -179.79 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1949 ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -57.86 -37.67 74.32 Favored 'General case' 0 N--CA 1.464 0.26 0 O-C-N 123.47 0.481 . . . . 0.0 111.179 -179.018 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1950 ' ' LEU . . . . . 0.741 HD11 HD22 ' A' 1882 ' ' LEU . 7.7 tt -60.53 -49.69 76.52 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.529 -178.025 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1951 ' ' ILE . . . . . 1.1 HG13 ' HB ' ' A' 1872 ' ' VAL . 2.0 mp -64.31 -41.43 92.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.301 177.512 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1952 ' ' GLU . . . . . 0.59 ' HG2' ' O ' ' A' 1948 ' ' LYS . 32.1 mm-40 -62.38 -36.59 82.76 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.057 -179.027 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1953 ' ' CYS . . . . . . . . . . . . . 36.3 t -75.43 -42.9 52.31 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.524 -0.307 . . . . 0.0 111.005 -178.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1954 ' ' ALA . . . . . . . . . . . . . . . -61.04 -39.72 90.9 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.71 -176.552 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1955 ' ' ARG . . . . . 0.565 ' HE ' ' HA ' ' A' 1952 ' ' GLU . 8.9 ptp180 -63.06 -30.91 71.97 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.842 0.353 . . . . 0.0 110.497 -179.896 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1956 ' ' ARG . . . . . 0.485 ' HG3' ' O ' ' A' 1952 ' ' GLU . 81.2 mtp180 -80.0 -37.08 34.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.368 -175.69 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1957 ' ' VAL . . . . . 0.523 HG12 ' HA3' ' A' 1926 ' ' GLY . 10.5 m -71.8 -29.69 34.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 C-N-CA 120.586 -0.446 . . . . 0.0 110.138 179.394 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1958 ' ' SER . . . . . 0.719 ' O ' HG22 ' A' 1961 ' ' VAL . 39.4 t -66.81 -24.08 66.13 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.318 177.689 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1959 ' ' GLU . . . . . 0.449 ' OE1' ' HA ' ' A' 1956 ' ' ARG . 42.4 mt-10 -68.0 -41.14 82.7 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.427 -0.583 . . . . 0.0 109.427 173.632 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1960 ' ' LYS . . . . . 0.639 ' HB3' ' HG ' ' A' 1923 ' ' LEU . 1.5 mppt? -66.48 -32.31 73.59 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.512 -0.767 . . . . 0.0 111.288 -179.502 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1961 ' ' VAL . . . . . 0.82 HG21 ' HB2' ' A' 1865 ' ' ALA . 2.3 m -63.38 -35.01 70.62 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.142 0 CA-C-O 120.992 0.425 . . . . 0.0 109.882 178.596 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1962 ' ' SER . . . . . 0.515 ' HA ' HD12 ' A' 1965 ' ' LEU . 10.4 t -76.85 -26.87 54.78 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-N 116.018 -0.537 . . . . 0.0 109.709 179.123 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1963 ' ' HIS . . . . . . . . . . . . . 66.6 m170 -72.94 -30.0 63.53 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.042 178.881 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1964 ' ' VAL . . . . . 0.632 ' O ' HD23 ' A' 1968 ' ' LEU . 64.3 t -67.53 -47.59 79.92 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.201 0 N-CA-C 109.119 -0.697 . . . . 0.0 109.119 171.169 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1965 ' ' LEU . . . . . 0.569 ' HG ' ' O ' ' A' 1961 ' ' VAL . 84.5 mt -53.29 -54.76 31.69 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.949 179.436 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1966 ' ' ALA . . . . . . . . . . . . . . . -62.48 -33.63 75.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.91 -177.516 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1967 ' ' ALA . . . . . . . . . . . . . . . -66.53 -45.49 79.29 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.198 -178.855 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1968 ' ' LEU . . . . . 0.949 ' HB3' ' HG3' ' A' 1854 ' ' GLN . 3.8 mm? -73.1 -30.77 63.89 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.896 -178.426 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1969 ' ' GLN . . . . . . . . . . . . . 73.8 mt-30 -79.92 13.75 2.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.969 -175.915 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1970 ' ' ALA . . . . . . . . . . . . . . . -90.36 -169.98 2.59 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.527 -0.306 . . . . 0.0 110.383 177.437 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1971 ' ' GLY . . . . . 0.4 ' HA2' ' OD1' ' A' 1909 ' ' ASN . . . 112.12 -128.08 8.38 Favored Glycine 0 N--CA 1.447 -0.572 0 C-N-CA 120.764 -0.732 . . . . 0.0 111.945 179.46 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1972 ' ' ASN . . . . . . . . . . . . . 10.8 p30 -87.45 -3.03 59.01 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.15 0.5 . . . . 0.0 110.114 178.795 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1973 ' ' ARG . . . . . . . . . . . . . 41.5 ttt180 . . . . . 0 C--O 1.246 0.894 0 CA-C-O 118.284 -0.865 . . . . 0.0 109.57 175.607 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A 1837 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.579 0 N-CA-C 111.801 -0.519 . . . . 0.0 111.801 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A 1838 ' ' ILE . . . . . 0.672 HG23 ' H ' ' A' 1839 ' ' ASP . 10.0 tt 46.39 -81.53 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.475 0.816 0 C-N-CA 124.861 1.264 . . . . 0.0 113.656 -179.033 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1839 ' ' ASP . . . . . 0.672 ' H ' HG23 ' A' 1838 ' ' ILE . 16.1 t70 -171.58 132.79 0.82 Allowed Pre-proline 0 C--N 1.319 -0.727 0 N-CA-C 109.147 -0.686 . . . . 0.0 109.147 -175.262 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1840 ' ' PRO . . . . . . . . . . . . . 83.8 Cg_endo -79.83 38.69 0.76 Allowed 'Trans proline' 0 C--O 1.234 0.28 0 C-N-CA 122.928 2.418 . . . . 0.0 113.546 -177.028 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1841 ' ' PHE . . . . . 0.486 ' HD1' ' HB3' ' A' 1839 ' ' ASP . 47.9 p90 -81.54 173.62 12.21 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.084 0.469 . . . . 0.0 110.802 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1842 ' ' THR . . . . . . . . . . . . . 5.7 t -118.65 144.49 46.14 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.838 175.81 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1843 ' ' MET . . . . . . . . . . . . . 22.8 ptp -65.9 -31.74 72.85 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.236 -179.445 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1844 ' ' GLY . . . . . . . . . . . . . . . 55.92 -113.6 4.13 Favored Glycine 0 C--N 1.332 0.308 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.026 -178.033 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1845 ' ' ASP . . . . . . . . . . . . . 15.0 m-20 -113.47 115.34 47.09 Favored Pre-proline 0 C--N 1.325 -0.497 0 N-CA-C 109.989 -0.374 . . . . 0.0 109.989 175.908 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1846 ' ' PRO . . . . . 0.536 ' O ' ' HA ' ' A' 1906 ' ' ALA . 7.9 Cg_exo -72.14 -69.46 0.02 OUTLIER 'Trans proline' 0 N--CA 1.461 -0.387 0 C-N-CA 122.683 2.255 . . . . 0.0 111.888 179.244 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1847 ' ' GLU . . . . . 0.589 ' HB3' ' HA ' ' A' 1908 ' ' GLU . 9.2 pt-20 -78.4 -179.85 6.57 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.186 -177.616 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1848 ' ' GLY . . . . . . . . . . . . . . . 104.44 -66.07 0.31 Allowed Glycine 0 N--CA 1.449 -0.494 0 C-N-CA 120.832 -0.699 . . . . 0.0 111.729 -176.625 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1849 ' ' SER . . . . . . . . . . . . . 17.8 m -75.17 -4.44 38.83 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.899 0.38 . . . . 0.0 110.961 178.423 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1850 ' ' PHE . . . . . 0.538 ' HB2' ' O ' ' A' 1906 ' ' ALA . 76.4 t80 -55.83 -29.79 60.36 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.987 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1851 ' ' VAL . . . . . . . . . . . . . 6.2 m -57.69 -32.8 43.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.302 -178.718 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1852 ' ' ASP . . . . . . . . . . . . . 21.8 t70 -76.33 -48.87 18.51 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.5 -178.314 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1853 ' ' TYR . . . . . 0.465 ' HB3' ' HB2' ' A' 1903 ' ' ALA . 56.4 m-85 -66.81 -33.54 75.83 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.593 -178.816 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1854 ' ' GLN . . . . . 0.554 ' HA ' HD12 ' A' 1968 ' ' LEU . 29.5 tt0 -58.63 -59.86 4.73 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.159 173.499 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1855 ' ' THR . . . . . 0.587 ' O ' ' HG2' ' A' 1859 ' ' ARG . 25.3 m -62.51 -37.88 87.76 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.528 -0.76 . . . . 0.0 112.126 -173.678 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1856 ' ' THR . . . . . 0.452 HG23 ' N ' ' A' 1857 ' ' MET . 14.5 t -66.16 -49.53 67.08 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 111.923 0.342 . . . . 0.0 111.923 -174.358 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1857 ' ' MET . . . . . 0.674 ' HB2' HD12 ' A' 1896 ' ' LEU . 1.1 ptp -82.35 -22.77 35.38 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 120.594 -0.443 . . . . 0.0 111.567 -171.759 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1858 ' ' VAL . . . . . 0.405 HG13 ' O ' ' A' 1854 ' ' GLN . 34.2 m -70.76 -30.41 41.89 Favored 'Isoleucine or valine' 0 CA--C 1.523 -0.062 0 C-N-CA 120.001 -0.679 . . . . 0.0 109.818 175.591 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1859 ' ' ARG . . . . . 0.587 ' HG2' ' O ' ' A' 1855 ' ' THR . 38.7 mmt180 -61.72 -44.12 97.54 Favored 'General case' 0 CA--C 1.516 -0.332 0 N-CA-C 109.122 -0.696 . . . . 0.0 109.122 172.122 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1860 ' ' THR . . . . . 0.425 ' O ' HG13 ' A' 1864 ' ' ILE . 5.7 m -62.52 -41.43 98.85 Favored 'General case' 0 N--CA 1.449 -0.515 0 CA-C-N 115.15 -0.932 . . . . 0.0 110.843 -179.836 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1861 ' ' ALA . . . . . . . . . . . . . . . -62.41 -46.05 90.32 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.895 0.379 . . . . 0.0 110.82 178.621 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1862 ' ' LYS . . . . . 0.405 ' HE2' HD22 ' A' 1965 ' ' LEU . 46.4 mttm -64.53 -36.07 83.02 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.508 177.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1863 ' ' ALA . . . . . . . . . . . . . . . -70.45 -37.1 74.27 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.807 178.616 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1864 ' ' ILE . . . . . 0.634 ' O ' HG13 ' A' 1868 ' ' VAL . 63.7 mt -65.66 -42.18 92.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 N-CA-C 110.134 -0.321 . . . . 0.0 110.134 175.148 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1865 ' ' ALA . . . . . 0.806 ' HB2' HG21 ' A' 1961 ' ' VAL . . . -54.69 -48.94 71.81 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.757 -179.073 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1866 ' ' VAL . . . . . . . . . . . . . 10.3 p -64.85 -34.15 68.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 C-N-CA 120.71 -0.396 . . . . 0.0 110.744 -179.621 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1867 ' ' THR . . . . . 0.479 ' O ' ' HG3' ' A' 1871 ' ' MET . 11.9 m -66.18 -49.49 67.17 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.81 -0.177 . . . . 0.0 110.867 178.602 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1868 ' ' VAL . . . . . 0.634 HG13 ' O ' ' A' 1864 ' ' ILE . 3.1 m -65.2 -32.77 59.73 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.287 0 CA-C-O 121.488 0.661 . . . . 0.0 110.554 -178.616 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1869 ' ' GLN . . . . . . . . . . . . . 46.0 tp60 -77.63 -34.91 53.14 Favored 'General case' 0 N--CA 1.427 -1.576 0 CA-C-N 115.278 -0.874 . . . . 0.0 110.261 -177.849 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1870 ' ' GLU . . . . . . . . . . . . . 32.5 mm-40 -71.97 -31.09 65.94 Favored 'General case' 0 C--O 1.22 -0.472 0 CA-C-N 116.544 -0.298 . . . . 0.0 110.816 172.914 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1871 ' ' MET . . . . . 0.479 ' HG3' ' O ' ' A' 1867 ' ' THR . 7.6 mtt -55.23 -48.99 73.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.699 0.285 . . . . 0.0 110.926 177.268 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1872 ' ' VAL . . . . . 0.6 HG12 ' HA ' ' A' 1951 ' ' ILE . 32.9 m -72.88 -28.96 28.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.98 0.419 . . . . 0.0 111.092 179.809 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1873 ' ' THR . . . . . . . . . . . . . 85.6 m -71.17 -43.64 67.08 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.574 177.454 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1874 ' ' LYS . . . . . . . . . . . . . 75.2 mmtt -71.04 -47.51 58.16 Favored 'General case' 0 C--O 1.22 -0.469 0 CA-C-N 116.044 -0.526 . . . . 0.0 111.142 -178.783 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1875 ' ' SER . . . . . 0.427 ' HB3' HD11 ' A' 1882 ' ' LEU . 11.2 p -54.68 -22.08 12.67 Favored 'General case' 0 N--CA 1.466 0.341 0 N-CA-C 113.006 0.743 . . . . 0.0 113.006 -172.638 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1876 ' ' ASN . . . . . . . . . . . . . 94.0 m-20 -70.56 -23.55 62.63 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 111.8 0.296 . . . . 0.0 111.8 -179.781 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1877 ' ' THR . . . . . . . . . . . . . 46.9 p -132.38 -25.8 1.92 Allowed 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 112.317 0.488 . . . . 0.0 112.317 179.571 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1878 ' ' SER . . . . . . . . . . . . . 25.9 m -136.75 107.29 9.04 Favored Pre-proline 0 C--N 1.321 -0.655 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.56 -169.86 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1879 ' ' PRO . . . . . 0.926 ' HG3' ' HB3' ' A' 1941 ' ' PRO . 26.1 Cg_endo -90.39 -7.79 4.07 Favored 'Trans proline' 0 N--CA 1.446 -1.299 0 C-N-CA 122.145 1.897 . . . . 0.0 111.72 172.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1880 ' ' GLU . . . . . . . . . . . . . 28.2 mm-40 -78.35 -36.06 46.67 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.67 179.343 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1881 ' ' GLU . . . . . . . . . . . . . 49.0 mm-40 -67.37 -14.86 63.31 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-O 121.247 0.546 . . . . 0.0 110.827 -179.524 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1882 ' ' LEU . . . . . 0.916 HD12 ' HA ' ' A' 1879 ' ' PRO . 1.1 mt -79.41 -10.66 59.85 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.668 -0.697 . . . . 0.0 112.298 -174.41 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1883 ' ' GLY . . . . . . . . . . . . . . . -65.75 -61.57 5.48 Favored Glycine 0 N--CA 1.453 -0.214 0 C-N-CA 120.43 -0.891 . . . . 0.0 112.131 176.522 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1884 ' ' PRO . . . . . 0.432 ' O ' ' HB2' ' A' 1888 ' ' GLN . 14.0 Cg_endo -59.01 -38.7 86.38 Favored 'Trans proline' 0 N--CA 1.462 -0.351 0 C-N-CA 122.413 2.075 . . . . 0.0 112.095 175.831 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1885 ' ' LEU . . . . . . . . . . . . . 81.0 mt -61.71 -43.69 98.36 Favored 'General case' 0 N--CA 1.463 0.2 0 N-CA-C 111.688 0.255 . . . . 0.0 111.688 -178.597 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1886 ' ' ALA . . . . . . . . . . . . . . . -63.42 -48.41 77.92 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.895 0.379 . . . . 0.0 110.951 -179.001 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1887 ' ' ASN . . . . . . . . . . . . . 94.1 m-20 -68.02 -30.59 69.87 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.217 -179.872 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1888 ' ' GLN . . . . . 0.432 ' HB2' ' O ' ' A' 1884 ' ' PRO . 0.9 OUTLIER -63.61 -56.17 17.97 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.637 -0.71 . . . . 0.0 109.994 178.515 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A 1889 ' ' LEU . . . . . 0.551 HD11 HG12 ' A' 1868 ' ' VAL . 1.1 tt -53.32 -43.05 67.32 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.143 -0.935 . . . . 0.0 109.596 178.644 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1890 ' ' THR . . . . . . . . . . . . . 40.7 m -60.18 -44.22 95.24 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.453 -0.794 . . . . 0.0 111.059 179.203 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1891 ' ' SER . . . . . . . . . . . . . 35.9 m -67.13 -44.65 79.33 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.154 -178.434 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1892 ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -64.63 -44.35 90.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.211 -179.343 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1893 ' ' TYR . . . . . . . . . . . . . 41.0 t80 -57.42 -41.37 80.26 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-O 120.613 0.245 . . . . 0.0 110.679 177.554 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1894 ' ' GLY . . . . . . . . . . . . . . . -56.5 -38.82 82.41 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 121.087 -0.578 . . . . 0.0 112.3 178.268 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1895 ' ' ARG . . . . . . . . . . . . . 74.6 ttt180 -71.84 -47.4 53.39 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.089 0.471 . . . . 0.0 110.185 176.54 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1896 ' ' LEU . . . . . 0.674 HD12 ' HB2' ' A' 1857 ' ' MET . 60.1 tp -55.43 -55.54 30.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.564 -0.744 . . . . 0.0 111.8 -177.705 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1897 ' ' ALA . . . . . . . . . . . . . . . -64.06 -24.29 67.65 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.812 -175.69 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1898 ' ' SER . . . . . . . . . . . . . 50.6 m -82.6 -32.85 28.2 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.128 0.489 . . . . 0.0 110.196 -177.272 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1899 ' ' GLN . . . . . 0.406 HE21 ' HB2' ' A' 1899 ' ' GLN . 15.6 mt-30 -73.96 -9.47 58.67 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.502 -0.772 . . . . 0.0 110.551 178.615 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1900 ' ' ALA . . . . . . . . . . . . . . . -71.82 -32.7 67.83 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.32 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1901 ' ' LYS . . . . . 0.419 ' N ' ' HD2' ' A' 1902 ' ' PRO . 21.8 tptm -67.84 -56.66 11.18 Favored Pre-proline 0 CA--C 1.537 0.464 0 C-N-CA 120.864 -0.334 . . . . 0.0 111.491 -177.62 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1902 ' ' PRO . . . . . 0.464 ' HB2' ' CE1' ' A' 1853 ' ' TYR . 28.5 Cg_endo -63.24 -25.76 72.13 Favored 'Trans proline' 0 C--N 1.354 0.825 0 C-N-CA 122.001 1.801 . . . . 0.0 112.353 179.62 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1903 ' ' ALA . . . . . 0.465 ' HB2' ' HB3' ' A' 1853 ' ' TYR . . . -74.47 -29.92 61.64 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.966 0.412 . . . . 0.0 110.688 178.101 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1904 ' ' ALA . . . . . . . . . . . . . . . -76.21 -28.22 57.12 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.777 -177.612 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1905 ' ' VAL . . . . . 0.411 HG22 ' HA ' ' A' 1902 ' ' PRO . 34.4 m -92.22 -3.88 10.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.552 178.645 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1906 ' ' ALA . . . . . 0.538 ' O ' ' HB2' ' A' 1850 ' ' PHE . . . -111.25 9.55 21.73 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.234 177.082 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1907 ' ' ALA . . . . . . . . . . . . . . . -64.48 135.12 55.74 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.438 -0.801 . . . . 0.0 111.828 -176.232 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1908 ' ' GLU . . . . . 0.589 ' HA ' ' HB3' ' A' 1847 ' ' GLU . 43.6 mt-10 -73.4 -27.22 61.34 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.571 -0.741 . . . . 0.0 110.271 177.425 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1909 ' ' ASN . . . . . 0.418 ' HB2' ' CD1' ' A' 1912 ' ' ILE . 85.9 m-20 -137.56 159.02 43.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.012 -179.565 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1910 ' ' GLU . . . . . . . . . . . . . 27.3 tt0 -55.96 -53.67 54.1 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 123.701 0.626 . . . . 0.0 111.693 -177.666 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1911 ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -62.91 -39.08 93.45 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.72 -0.673 . . . . 0.0 111.46 -174.904 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1912 ' ' ILE . . . . . 0.627 ' O ' HG13 ' A' 1916 ' ' ILE . 80.6 mt -52.12 -53.4 18.64 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 O-C-N 123.308 0.38 . . . . 0.0 110.715 -178.886 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1913 ' ' GLY . . . . . 0.579 ' HA2' HD12 ' A' 1916 ' ' ILE . . . -65.55 -26.83 72.06 Favored Glycine 0 CA--C 1.517 0.208 0 C-N-CA 120.968 -0.635 . . . . 0.0 112.702 -179.085 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1914 ' ' ALA . . . . . . . . . . . . . . . -76.15 -42.25 47.34 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.737 0.303 . . . . 0.0 110.642 179.855 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1915 ' ' HIS . . . . . 0.585 ' O ' ' HG2' ' A' 1919 ' ' ARG . 96.1 m-70 -66.09 -36.4 83.08 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.841 -178.609 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1916 ' ' ILE . . . . . 0.627 HG13 ' O ' ' A' 1912 ' ' ILE . 89.9 mt -52.9 -57.21 4.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.01 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1917 ' ' LYS . . . . . 0.418 ' HA ' HG22 ' A' 1920 ' ' VAL . 9.5 mtmp? -68.66 -26.92 65.56 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.713 -179.351 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1918 ' ' HIS . . . . . . . . . . . . . 49.9 t-80 -63.98 -44.9 91.31 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.234 0.54 . . . . 0.0 110.009 177.588 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1919 ' ' ARG . . . . . 0.609 ' HD2' ' HB3' ' A' 1963 ' ' HIS . 21.7 mmt180 -76.74 -29.2 56.06 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.438 -0.801 . . . . 0.0 111.97 -172.422 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1920 ' ' VAL . . . . . 0.418 HG22 ' HA ' ' A' 1917 ' ' LYS . 24.6 m -78.84 -26.28 13.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 C-N-CA 120.337 -0.545 . . . . 0.0 110.439 177.262 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1921 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.37 -40.17 64.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.073 0.463 . . . . 0.0 110.188 179.406 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1922 ' ' GLU . . . . . 0.576 ' HG3' ' HG3' ' A' 1960 ' ' LYS . 10.9 pt-20 -72.43 -28.22 62.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 109.925 179.659 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1923 ' ' LEU . . . . . 1.018 ' HG ' ' HB3' ' A' 1960 ' ' LYS . 4.5 mt -71.51 -37.88 71.17 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.518 174.08 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1924 ' ' GLY . . . . . . . . . . . . . . . -54.53 -45.42 76.9 Favored Glycine 0 N--CA 1.453 -0.199 0 CA-C-N 116.15 -0.477 . . . . 0.0 113.008 -178.461 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1925 ' ' HIS . . . . . . . . . . . . . 33.3 m170 -62.39 -48.07 81.36 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.038 0.447 . . . . 0.0 110.458 179.27 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1926 ' ' GLY . . . . . 0.479 ' HA3' HG12 ' A' 1957 ' ' VAL . . . -68.12 -43.53 80.54 Favored Glycine 0 N--CA 1.448 -0.53 0 CA-C-N 115.756 -0.656 . . . . 0.0 112.934 -176.764 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1927 ' ' CYS . . . . . . . . . . . . . 82.4 m -61.81 -46.63 88.69 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.714 0.292 . . . . 0.0 111.049 -178.833 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1928 ' ' SER . . . . . . . . . . . . . 15.9 m -65.39 -36.85 85.21 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.776 -178.129 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1929 ' ' ALA . . . . . . . . . . . . . . . -70.19 -40.67 74.47 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.04 0.448 . . . . 0.0 110.482 177.185 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1930 ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -61.9 -51.82 66.61 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.631 -178.945 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1931 ' ' VAL . . . . . . . . . . . . . 31.7 m -63.15 -28.4 45.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.623 -0.262 . . . . 0.0 111.125 -177.683 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1932 ' ' THR . . . . . . . . . . . . . 91.8 m -65.12 -48.09 74.83 Favored 'General case' 0 N--CA 1.453 -0.3 0 N-CA-C 109.914 -0.402 . . . . 0.0 109.914 175.283 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1933 ' ' LYS . . . . . . . . . . . . . 74.0 mmtt -69.6 -35.54 75.41 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.919 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1934 ' ' ALA . . . . . . . . . . . . . . . -59.57 -50.15 75.0 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.601 176.369 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1935 ' ' GLY . . . . . . . . . . . . . . . -67.51 -35.43 86.72 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.816 -0.707 . . . . 0.0 112.028 177.911 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1936 ' ' ALA . . . . . . . . . . . . . . . -63.9 -46.39 85.07 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.552 0.215 . . . . 0.0 111.138 178.706 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1937 ' ' LEU . . . . . 0.413 ' N ' HG21 ' A' 1946 ' ' THR . 36.2 tp -69.05 -30.55 68.91 Favored 'General case' 0 CA--C 1.514 -0.406 0 CA-C-O 121.277 0.561 . . . . 0.0 109.851 178.295 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1938 ' ' GLN . . . . . . . . . . . . . 6.4 tt0 -60.51 -40.09 90.15 Favored 'General case' 0 N--CA 1.444 -0.749 0 CA-C-N 115.387 -0.824 . . . . 0.0 110.246 177.558 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1939 ' ' CYS . . . . . . . . . . . . . 86.3 m -79.61 -32.64 41.87 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.153 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1940 ' ' SER . . . . . . . . . . . . . 45.6 m -122.47 81.75 46.77 Favored Pre-proline 0 C--N 1.327 -0.386 0 CA-C-O 120.875 0.369 . . . . 0.0 110.692 178.042 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1941 ' ' PRO . . . . . 0.926 ' HB3' ' HG3' ' A' 1879 ' ' PRO . 23.3 Cg_exo -67.25 -22.32 46.67 Favored 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 123.332 2.688 . . . . 0.0 113.149 -174.317 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1942 ' ' SER . . . . . . . . . . . . . 44.7 m -99.09 11.66 38.38 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.236 -176.129 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1943 ' ' ASP . . . . . . . . . . . . . 19.3 t70 -98.33 107.39 19.84 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.935 0.397 . . . . 0.0 110.044 177.03 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1944 ' ' VAL . . . . . . . . . . . . . 10.6 p -72.64 -27.87 26.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.312 -175.505 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1945 ' ' TYR . . . . . . . . . . . . . 90.4 m-85 -64.76 -45.47 86.25 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.978 0.418 . . . . 0.0 110.35 -177.435 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1946 ' ' THR . . . . . 0.413 HG21 ' N ' ' A' 1937 ' ' LEU . 55.3 m -60.9 -40.62 93.8 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.622 176.252 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1947 ' ' LYS . . . . . . . . . . . . . 28.2 ttpt -64.67 -42.15 95.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.088 179.501 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1948 ' ' LYS . . . . . 0.569 ' HE2' ' HA ' ' A' 1948 ' ' LYS . 8.6 mmpt? -55.82 -50.56 70.2 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.856 179.278 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1949 ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 -58.43 -35.78 72.61 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.046 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1950 ' ' LEU . . . . . 0.406 HD21 ' HB3' ' A' 1871 ' ' MET . 6.8 tt -63.35 -51.87 64.16 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.105 179.641 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1951 ' ' ILE . . . . . 0.6 ' HA ' HG12 ' A' 1872 ' ' VAL . 1.8 mp -60.24 -45.43 96.17 Favored 'Isoleucine or valine' 0 C--O 1.235 0.32 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.849 179.892 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1952 ' ' GLU . . . . . 0.513 ' O ' ' HG3' ' A' 1956 ' ' ARG . 7.6 mm-40 -62.91 -35.83 81.37 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.403 -177.778 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1953 ' ' CYS . . . . . 0.427 ' O ' HG13 ' A' 1957 ' ' VAL . 16.5 t -77.01 -46.76 22.72 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.584 -0.28 . . . . 0.0 111.009 -177.149 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1954 ' ' ALA . . . . . . . . . . . . . . . -60.98 -40.07 92.03 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 112.173 0.435 . . . . 0.0 112.173 -174.812 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1955 ' ' ARG . . . . . 0.421 HH21 ' CD ' ' A' 1952 ' ' GLU . 47.0 ptt85 -67.93 -24.65 65.21 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 120.954 -0.298 . . . . 0.0 111.013 -179.058 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1956 ' ' ARG . . . . . 0.513 ' HG3' ' O ' ' A' 1952 ' ' GLU . 25.3 mtm180 -81.55 -40.06 23.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.827 0.346 . . . . 0.0 111.212 179.432 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1957 ' ' VAL . . . . . 0.479 HG12 ' HA3' ' A' 1926 ' ' GLY . 9.9 m -71.74 -23.65 22.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.601 -0.272 . . . . 0.0 111.019 -176.569 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1958 ' ' SER . . . . . 0.728 ' O ' HG22 ' A' 1961 ' ' VAL . 19.8 t -64.81 -23.77 67.34 Favored 'General case' 0 C--O 1.222 -0.383 0 CA-C-N 116.525 -0.307 . . . . 0.0 110.231 178.186 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1959 ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -69.8 -38.71 76.73 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.346 0.593 . . . . 0.0 109.653 174.633 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1960 ' ' LYS . . . . . 1.018 ' HB3' ' HG ' ' A' 1923 ' ' LEU . 13.0 mptt -63.68 -33.1 74.88 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.303 -0.862 . . . . 0.0 110.631 -178.644 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1961 ' ' VAL . . . . . 0.806 HG21 ' HB2' ' A' 1865 ' ' ALA . 1.6 m -66.11 -38.79 82.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 116.16 -0.473 . . . . 0.0 109.98 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1962 ' ' SER . . . . . 0.485 ' HA ' HD12 ' A' 1965 ' ' LEU . 3.4 m -70.57 -25.69 63.19 Favored 'General case' 0 N--CA 1.442 -0.836 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.165 177.077 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1963 ' ' HIS . . . . . 0.609 ' HB3' ' HD2' ' A' 1919 ' ' ARG . 67.5 m170 -72.3 -39.26 68.42 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.379 -0.828 . . . . 0.0 110.346 179.655 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1964 ' ' VAL . . . . . 0.505 ' O ' HD23 ' A' 1968 ' ' LEU . 92.3 t -60.27 -42.38 90.33 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.151 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 173.186 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1965 ' ' LEU . . . . . 0.633 ' HG ' ' O ' ' A' 1961 ' ' VAL . 65.8 mt -58.65 -47.87 82.98 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.48 -0.782 . . . . 0.0 111.066 179.142 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1966 ' ' ALA . . . . . . . . . . . . . . . -70.03 -30.26 67.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.854 -177.887 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1967 ' ' ALA . . . . . . . . . . . . . . . -69.62 -48.05 61.37 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.864 0.364 . . . . 0.0 110.992 179.587 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1968 ' ' LEU . . . . . 0.554 HD21 ' SD ' ' A' 1857 ' ' MET . 4.2 mm? -78.91 -42.3 27.5 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.766 -174.838 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1969 ' ' GLN . . . . . . . . . . . . . 55.6 mt-30 -81.4 14.55 2.41 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.674 0.273 . . . . 0.0 111.487 -175.478 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1970 ' ' ALA . . . . . . . . . . . . . . . -68.17 -72.24 0.18 Allowed 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.947 -0.39 . . . . 0.0 109.947 175.087 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1971 ' ' GLY . . . . . . . . . . . . . . . 67.92 -125.88 22.85 Favored Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.845 -0.693 . . . . 0.0 112.7 178.724 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1972 ' ' ASN . . . . . . . . . . . . . 14.6 t-20 -88.75 84.34 6.7 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.114 0.483 . . . . 0.0 110.932 -176.115 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1973 ' ' ARG . . . . . . . . . . . . . 5.2 ptp85 . . . . . 0 C--O 1.248 0.998 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.035 175.53 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A 1837 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.789 0 N-CA-C 112.236 -0.346 . . . . 0.0 112.236 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A 1838 ' ' ILE . . . . . . . . . . . . . 49.0 mm -117.91 -64.42 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 N-CA-C 109.67 -0.492 . . . . 0.0 109.67 178.803 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1839 ' ' ASP . . . . . 0.47 ' HA ' ' HD3' ' A' 1840 ' ' PRO . 10.5 m-20 69.04 125.89 0.03 OUTLIER Pre-proline 0 N--CA 1.468 0.426 0 CA-C-N 114.899 -1.046 . . . . 0.0 111.632 177.796 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1840 ' ' PRO . . . . . 0.47 ' HD3' ' HA ' ' A' 1839 ' ' ASP . 2.0 Cg_endo -81.11 37.15 0.66 Allowed 'Trans proline' 0 N--CA 1.462 -0.325 0 C-N-CA 123.332 2.688 . . . . 0.0 111.794 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1841 ' ' PHE . . . . . . . . . . . . . 91.4 m-85 -130.17 162.56 28.61 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.079 -177.857 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1842 ' ' THR . . . . . 0.544 ' HA ' ' OD1' ' A' 1845 ' ' ASP . 37.1 p 49.24 73.6 0.23 Allowed 'General case' 0 C--N 1.332 -0.188 0 O-C-N 123.931 0.769 . . . . 0.0 111.449 -176.886 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1843 ' ' MET . . . . . . . . . . . . . 26.1 ptt? -73.63 -32.41 64.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.622 -0.717 . . . . 0.0 111.711 -175.764 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1844 ' ' GLY . . . . . . . . . . . . . . . -151.09 37.95 0.85 Allowed Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 120.712 -0.756 . . . . 0.0 111.789 -179.735 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1845 ' ' ASP . . . . . 0.544 ' OD1' ' HA ' ' A' 1842 ' ' THR . 7.1 m-20 -89.34 150.22 44.28 Favored Pre-proline 0 C--N 1.323 -0.577 0 N-CA-C 110.224 -0.287 . . . . 0.0 110.224 -178.661 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1846 ' ' PRO . . . . . . . . . . . . . 6.4 Cg_endo -49.55 -69.0 0.08 OUTLIER 'Trans proline' 0 C--N 1.347 0.46 0 C-N-CA 123.506 2.804 . . . . 0.0 113.364 -176.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1847 ' ' GLU . . . . . 0.489 ' HB3' ' HG2' ' A' 1908 ' ' GLU . 0.0 OUTLIER -128.41 -36.26 1.91 Allowed 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.006 0.432 . . . . 0.0 111.952 -178.043 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A 1848 ' ' GLY . . . . . . . . . . . . . . . 117.94 44.81 0.52 Allowed Glycine 0 C--N 1.316 -0.537 0 C-N-CA 120.899 -0.667 . . . . 0.0 112.871 177.484 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1849 ' ' SER . . . . . . . . . . . . . 3.1 m 57.98 45.11 18.6 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-O 121.108 0.48 . . . . 0.0 111.388 178.404 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1850 ' ' PHE . . . . . . . . . . . . . 89.3 t80 -58.23 -31.08 67.03 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.914 -179.026 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1851 ' ' VAL . . . . . . . . . . . . . 17.2 m -61.61 -29.48 46.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.811 -176.501 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1852 ' ' ASP . . . . . . . . . . . . . 21.4 t70 -70.1 -50.22 43.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.977 0.418 . . . . 0.0 110.36 -179.66 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1853 ' ' TYR . . . . . 0.496 ' O ' ' HG2' ' A' 1857 ' ' MET . 36.0 m-85 -66.82 -37.22 84.1 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.64 -0.709 . . . . 0.0 109.947 179.415 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1854 ' ' GLN . . . . . 0.842 ' HG3' ' HB3' ' A' 1968 ' ' LEU . 48.0 tt0 -56.27 -58.67 6.97 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.324 -0.853 . . . . 0.0 111.083 177.036 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1855 ' ' THR . . . . . 0.454 ' O ' ' HG2' ' A' 1859 ' ' ARG . 28.7 m -59.24 -41.15 88.06 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.854 -0.612 . . . . 0.0 112.035 -174.194 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1856 ' ' THR . . . . . 0.456 HG22 ' O ' ' A' 1853 ' ' TYR . 15.0 t -66.71 -46.19 76.32 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 111.993 0.368 . . . . 0.0 111.993 -174.034 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1857 ' ' MET . . . . . 0.496 ' HG2' ' O ' ' A' 1853 ' ' TYR . 13.6 ptm -79.93 -24.15 41.26 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.828 -0.349 . . . . 0.0 111.455 -173.085 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1858 ' ' VAL . . . . . 0.416 HG13 ' O ' ' A' 1854 ' ' GLN . 19.1 m -72.99 -34.53 46.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 C-N-CA 119.704 -0.799 . . . . 0.0 109.42 173.662 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1859 ' ' ARG . . . . . 0.454 ' HG2' ' O ' ' A' 1855 ' ' THR . 15.5 mmm180 -66.25 -39.31 89.41 Favored 'General case' 0 CA--C 1.52 -0.191 0 N-CA-C 109.406 -0.59 . . . . 0.0 109.406 173.036 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1860 ' ' THR . . . . . 0.515 ' O ' HG13 ' A' 1864 ' ' ILE . 33.8 m -64.54 -41.37 96.39 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.516 -0.765 . . . . 0.0 110.678 178.086 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1861 ' ' ALA . . . . . 0.453 ' HB1' ' HB ' ' A' 1961 ' ' VAL . . . -62.48 -39.92 95.0 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.897 0.38 . . . . 0.0 110.725 177.29 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1862 ' ' LYS . . . . . . . . . . . . . 59.6 mttm -67.09 -33.42 75.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.394 176.886 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1863 ' ' ALA . . . . . . . . . . . . . . . -65.25 -45.63 83.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.061 175.194 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1864 ' ' ILE . . . . . 0.663 HG12 ' HB3' ' A' 1892 ' ' ASP . 58.1 mt -59.29 -43.65 90.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.179 175.65 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1865 ' ' ALA . . . . . 0.746 ' HB2' HG21 ' A' 1961 ' ' VAL . . . -59.4 -44.72 92.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.842 -178.675 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1866 ' ' VAL . . . . . 0.487 ' HA ' ' HG2' ' A' 1869 ' ' GLN . 10.4 p -74.51 -27.09 20.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 C-N-CA 120.599 -0.44 . . . . 0.0 110.487 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1867 ' ' THR . . . . . 0.635 ' O ' ' HG3' ' A' 1871 ' ' MET . 68.3 m -67.22 -56.87 8.07 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 110.132 -0.321 . . . . 0.0 110.132 173.763 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1868 ' ' VAL . . . . . 0.575 ' HA ' ' SD ' ' A' 1871 ' ' MET . 32.5 m -62.79 -34.39 65.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.685 -175.537 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1869 ' ' GLN . . . . . 0.515 ' O ' HG22 ' A' 1872 ' ' VAL . 1.5 pt20 -72.67 -32.56 65.92 Favored 'General case' 0 N--CA 1.452 -0.372 0 C-N-CA 120.714 -0.394 . . . . 0.0 110.46 -177.907 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1870 ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -70.82 -29.33 65.46 Favored 'General case' 0 C--O 1.217 -0.611 0 C-N-CA 120.817 -0.353 . . . . 0.0 110.428 175.524 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1871 ' ' MET . . . . . 0.635 ' HG3' ' O ' ' A' 1867 ' ' THR . 59.3 mtp -61.45 -42.57 98.96 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.628 0.252 . . . . 0.0 110.364 179.61 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1872 ' ' VAL . . . . . 0.99 ' HB ' HG13 ' A' 1951 ' ' ILE . 1.1 m -72.51 -29.17 30.08 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.383 0 CA-C-O 121.672 0.749 . . . . 0.0 110.273 178.813 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1873 ' ' THR . . . . . . . . . . . . . 91.0 m -79.22 -37.39 38.25 Favored 'General case' 0 C--N 1.315 -0.929 0 CA-C-N 114.642 -1.163 . . . . 0.0 110.797 -177.439 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1874 ' ' LYS . . . . . . . . . . . . . 73.2 mmtt -74.35 -41.32 61.25 Favored 'General case' 0 C--O 1.217 -0.647 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.897 179.245 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1875 ' ' SER . . . . . . . . . . . . . 33.0 p -53.51 -19.81 4.14 Favored 'General case' 0 N--CA 1.465 0.318 0 N-CA-C 112.899 0.703 . . . . 0.0 112.899 -173.359 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1876 ' ' ASN . . . . . . . . . . . . . 91.2 m-20 -72.95 -40.85 65.03 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 111.774 0.287 . . . . 0.0 111.774 -178.903 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1877 ' ' THR . . . . . . . . . . . . . 34.3 p -122.4 -16.53 7.32 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 112.209 0.448 . . . . 0.0 112.209 -177.378 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1878 ' ' SER . . . . . . . . . . . . . 52.5 m -135.49 100.8 11.19 Favored Pre-proline 0 C--N 1.319 -0.747 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.566 -175.001 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1879 ' ' PRO . . . . . 0.958 ' HA ' HD12 ' A' 1882 ' ' LEU . 36.4 Cg_endo -91.15 2.94 4.51 Favored 'Trans proline' 0 N--CA 1.445 -1.355 0 C-N-CA 121.604 1.536 . . . . 0.0 110.905 171.515 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1880 ' ' GLU . . . . . 0.407 ' H ' ' HG2' ' A' 1880 ' ' GLU . 9.5 pt-20 -85.68 -38.72 18.03 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 114.771 -1.104 . . . . 0.0 110.995 178.837 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1881 ' ' GLU . . . . . . . . . . . . . 22.6 mm-40 -66.46 -14.91 62.88 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-O 121.317 0.58 . . . . 0.0 111.029 -179.48 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1882 ' ' LEU . . . . . 0.958 HD12 ' HA ' ' A' 1879 ' ' PRO . 4.9 mt -79.11 -3.1 43.77 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 115.458 -0.792 . . . . 0.0 111.52 -176.165 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1883 ' ' GLY . . . . . . . . . . . . . . . -76.31 -61.36 2.82 Favored Glycine 0 N--CA 1.447 -0.611 0 C-N-CA 120.454 -0.879 . . . . 0.0 111.333 170.378 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1884 ' ' PRO . . . . . . . . . . . . . 41.9 Cg_exo -58.85 -44.37 36.41 Favored 'Trans proline' 0 C--N 1.348 0.53 0 C-N-CA 122.775 2.317 . . . . 0.0 112.57 175.512 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1885 ' ' LEU . . . . . 0.435 ' HB3' ' HG2' ' A' 1871 ' ' MET . 66.2 mt -59.5 -33.77 71.77 Favored 'General case' 0 N--CA 1.464 0.231 0 N-CA-C 112.122 0.416 . . . . 0.0 112.122 -176.583 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1886 ' ' ALA . . . . . . . . . . . . . . . -69.1 -47.16 65.91 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.974 0.416 . . . . 0.0 110.712 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1887 ' ' ASN . . . . . . . . . . . . . 93.5 m-20 -68.78 -27.61 66.04 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.171 0.51 . . . . 0.0 110.004 177.587 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1888 ' ' GLN . . . . . . . . . . . . . 52.5 tp60 -64.9 -54.96 22.57 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.374 -0.83 . . . . 0.0 110.019 175.648 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1889 ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -52.4 -46.05 66.14 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.443 0.639 . . . . 0.0 109.633 177.372 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1890 ' ' THR . . . . . . . . . . . . . 45.3 m -57.57 -45.03 85.69 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.228 -0.896 . . . . 0.0 111.11 179.515 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1891 ' ' SER . . . . . . . . . . . . . 40.9 m -69.83 -39.27 76.55 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.964 -178.775 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1892 ' ' ASP . . . . . 0.663 ' HB3' HG12 ' A' 1864 ' ' ILE . 57.9 m-20 -60.48 -48.64 80.89 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.604 177.741 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1893 ' ' TYR . . . . . . . . . . . . . 75.4 t80 -59.49 -36.88 76.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.852 178.343 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1894 ' ' GLY . . . . . . . . . . . . . . . -59.07 -34.81 81.05 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.988 -0.625 . . . . 0.0 112.478 179.098 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1895 ' ' ARG . . . . . . . . . . . . . 23.6 ttt180 -78.55 -35.86 45.43 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.107 0.48 . . . . 0.0 110.421 178.117 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1896 ' ' LEU . . . . . 0.671 HD11 HG11 ' A' 1964 ' ' VAL . 63.7 tp -68.15 -50.25 55.78 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.35 -179.24 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1897 ' ' ALA . . . . . . . . . . . . . . . -64.76 -24.46 67.56 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.902 -0.59 . . . . 0.0 112.07 -175.26 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1898 ' ' SER . . . . . . . . . . . . . 4.1 p -81.22 -44.1 18.29 Favored 'General case' 0 C--N 1.324 -0.519 0 C-N-CA 120.891 -0.324 . . . . 0.0 110.631 -177.854 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1899 ' ' GLN . . . . . . . . . . . . . 82.3 mm-40 -65.57 -18.08 65.06 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.296 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1900 ' ' ALA . . . . . 0.488 ' HA ' ' HE1' ' A' 1857 ' ' MET . . . -63.1 -28.48 70.1 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.324 178.701 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1901 ' ' LYS . . . . . 0.705 ' HB3' ' HD3' ' A' 1902 ' ' PRO . 0.5 OUTLIER -75.2 -56.96 1.82 Allowed Pre-proline 0 CA--C 1.54 0.563 0 C-N-CA 120.839 -0.344 . . . . 0.0 111.143 -177.365 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A 1902 ' ' PRO . . . . . 0.705 ' HD3' ' HB3' ' A' 1901 ' ' LYS . 38.8 Cg_exo -61.49 -27.43 82.18 Favored 'Trans proline' 0 C--N 1.357 1.021 0 C-N-CA 121.994 1.796 . . . . 0.0 112.346 178.848 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1903 ' ' ALA . . . . . . . . . . . . . . . -73.42 -33.46 64.96 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.927 0.394 . . . . 0.0 110.692 177.814 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1904 ' ' ALA . . . . . . . . . . . . . . . -75.97 -31.58 59.09 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.858 -177.484 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1905 ' ' VAL . . . . . 0.452 HG22 ' HA ' ' A' 1902 ' ' PRO . 17.1 m -80.51 -21.03 11.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.822 179.642 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1906 ' ' ALA . . . . . . . . . . . . . . . -96.97 11.01 37.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.189 0.519 . . . . 0.0 110.381 177.901 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1907 ' ' ALA . . . . . 0.417 ' HB1' ' HB ' ' A' 1912 ' ' ILE . . . -92.46 118.28 30.8 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.758 -179.38 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1908 ' ' GLU . . . . . 0.489 ' HG2' ' HB3' ' A' 1847 ' ' GLU . 22.6 mm-40 -67.25 -49.31 64.89 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.815 -179.114 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1909 ' ' ASN . . . . . 0.686 ' HB2' HG13 ' A' 1912 ' ' ILE . 3.2 m-20 -88.31 149.29 23.86 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.458 -176.74 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1910 ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -49.89 -54.18 21.25 Favored 'General case' 0 CA--C 1.516 -0.329 0 O-C-N 123.885 0.741 . . . . 0.0 111.059 -179.781 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1911 ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -70.65 -30.81 67.54 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-N 114.543 -1.208 . . . . 0.0 112.161 -170.06 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1912 ' ' ILE . . . . . 0.686 HG13 ' HB2' ' A' 1909 ' ' ASN . 53.6 mt -56.48 -53.91 34.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 C-N-CA 120.55 -0.46 . . . . 0.0 110.041 -179.702 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1913 ' ' GLY . . . . . . . . . . . . . . . -75.04 -26.27 67.0 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.609 -0.805 . . . . 0.0 112.265 -179.259 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1914 ' ' ALA . . . . . . . . . . . . . . . -72.33 -42.75 65.03 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.78 0.324 . . . . 0.0 110.571 -178.615 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1915 ' ' HIS . . . . . 0.613 ' O ' ' HG2' ' A' 1919 ' ' ARG . 74.6 m-70 -67.02 -40.13 87.18 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.903 -178.531 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1916 ' ' ILE . . . . . 0.548 HG13 ' O ' ' A' 1912 ' ' ILE . 99.1 mt -51.7 -55.29 9.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 O-C-N 123.543 0.527 . . . . 0.0 110.979 178.846 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1917 ' ' LYS . . . . . . . . . . . . . 52.1 mtmt -71.27 -35.4 71.35 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.02 -178.302 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1918 ' ' HIS . . . . . . . . . . . . . 48.0 t-80 -63.37 -38.43 91.13 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.186 -178.442 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1919 ' ' ARG . . . . . 0.613 ' HG2' ' O ' ' A' 1915 ' ' HIS . 31.1 mmt180 -73.69 -47.16 41.71 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.495 -0.32 . . . . 0.0 111.216 -177.054 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1920 ' ' VAL . . . . . 0.41 ' HA ' ' HB2' ' A' 1923 ' ' LEU . 30.0 m -66.42 -26.93 38.89 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-O 120.915 0.388 . . . . 0.0 110.897 -179.03 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1921 ' ' GLN . . . . . . . . . . . . . 24.9 tm0? -62.44 -39.29 92.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.341 177.701 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1922 ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -79.23 -30.37 43.17 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.131 0.491 . . . . 0.0 110.094 179.258 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1923 ' ' LEU . . . . . 0.551 ' HG ' ' HB3' ' A' 1960 ' ' LYS . 4.3 mt -65.13 -34.7 79.01 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.063 178.219 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1924 ' ' GLY . . . . . . . . . . . . . . . -55.22 -41.71 79.86 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 121.111 -0.566 . . . . 0.0 112.354 178.582 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1925 ' ' HIS . . . . . . . . . . . . . 24.0 m170 -66.59 -44.58 81.79 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.919 -0.4 . . . . 0.0 109.919 179.059 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1926 ' ' GLY . . . . . . . . . . . . . . . -64.8 -43.8 95.66 Favored Glycine 0 N--CA 1.449 -0.47 0 CA-C-N 115.657 -0.701 . . . . 0.0 112.355 -178.439 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1927 ' ' CYS . . . . . . . . . . . . . 62.8 m -61.71 -49.56 75.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.821 0.344 . . . . 0.0 110.313 178.519 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1928 ' ' SER . . . . . . . . . . . . . 41.3 t -61.38 -39.1 89.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.99 -179.443 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1929 ' ' ALA . . . . . 0.473 ' O ' ' HG2' ' A' 1933 ' ' LYS . . . -69.05 -46.03 68.9 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.497 -0.319 . . . . 0.0 110.892 179.071 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1930 ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -62.58 -47.52 83.46 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.988 -176.646 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1931 ' ' VAL . . . . . . . . . . . . . 24.4 m -63.22 -27.95 44.09 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.203 0 CA-C-O 120.888 0.375 . . . . 0.0 110.94 -178.247 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1932 ' ' THR . . . . . . . . . . . . . 44.3 m -74.77 -41.19 60.51 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.18 176.519 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1933 ' ' LYS . . . . . 0.473 ' HG2' ' O ' ' A' 1929 ' ' ALA . 74.6 mmtt -65.53 -37.48 86.85 Favored 'General case' 0 C--N 1.333 -0.132 0 CA-C-O 120.989 0.423 . . . . 0.0 110.289 177.071 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1934 ' ' ALA . . . . . . . . . . . . . . . -61.79 -42.65 99.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.594 177.005 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1935 ' ' GLY . . . . . . . . . . . . . . . -67.47 -41.43 90.55 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.009 177.372 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1936 ' ' ALA . . . . . . . . . . . . . . . -61.39 -46.78 88.73 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.44 0.162 . . . . 0.0 111.286 179.031 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1937 ' ' LEU . . . . . 0.484 ' HB2' HG22 ' A' 1946 ' ' THR . 21.7 tp -69.72 -29.73 67.19 Favored 'General case' 0 CA--C 1.517 -0.295 0 CA-C-O 121.105 0.478 . . . . 0.0 110.561 179.247 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1938 ' ' GLN . . . . . 0.428 ' HG3' ' O ' ' A' 1879 ' ' PRO . 44.9 tt0 -66.79 -29.21 69.1 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-O 121.323 0.582 . . . . 0.0 110.008 -179.865 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1939 ' ' CYS . . . . . . . . . . . . . 57.9 m -86.62 -36.71 18.66 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.588 176.432 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1940 ' ' SER . . . . . . . . . . . . . 20.2 m -118.89 78.66 16.34 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.547 -0.297 . . . . 0.0 110.637 178.513 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1941 ' ' PRO . . . . . 0.524 ' HB3' ' HG3' ' A' 1879 ' ' PRO . 11.0 Cg_exo -73.0 -17.61 24.87 Favored 'Trans proline' 0 C--N 1.344 0.32 0 C-N-CA 122.961 2.44 . . . . 0.0 112.67 -174.292 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1942 ' ' SER . . . . . . . . . . . . . 18.6 m -90.42 -2.7 57.96 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.149 -177.668 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1943 ' ' ASP . . . . . . . . . . . . . 12.2 t70 -90.91 111.36 22.75 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.983 0.42 . . . . 0.0 110.036 -178.527 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1944 ' ' VAL . . . . . . . . . . . . . 9.9 p -74.17 -26.77 21.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.811 -177.072 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1945 ' ' TYR . . . . . . . . . . . . . 90.4 m-85 -69.31 -43.48 73.69 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.514 -0.312 . . . . 0.0 110.707 -177.433 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1946 ' ' THR . . . . . 0.484 HG22 ' HB2' ' A' 1937 ' ' LEU . 65.5 m -58.2 -40.63 82.06 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.338 174.506 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1947 ' ' LYS . . . . . . . . . . . . . 22.7 ttpt -66.45 -42.64 87.29 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.303 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1948 ' ' LYS . . . . . 0.497 ' HE2' ' HA ' ' A' 1948 ' ' LYS . 9.3 mmpt? -51.42 -48.23 62.72 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.645 178.576 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1949 ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -60.06 -38.94 84.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.214 -178.511 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1950 ' ' LEU . . . . . 0.546 HD11 HD22 ' A' 1882 ' ' LEU . 7.8 tt -64.84 -50.47 66.53 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.429 -178.383 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1951 ' ' ILE . . . . . 0.99 HG13 ' HB ' ' A' 1872 ' ' VAL . 1.9 mp -60.63 -43.19 94.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-O 120.893 0.378 . . . . 0.0 110.02 177.384 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1952 ' ' GLU . . . . . 0.499 ' O ' ' HG3' ' A' 1956 ' ' ARG . 6.5 mm-40 -64.77 -29.45 70.42 Favored 'General case' 0 CA--C 1.517 -0.32 0 CA-C-N 115.749 -0.659 . . . . 0.0 111.16 -178.747 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1953 ' ' CYS . . . . . 0.414 ' O ' HG13 ' A' 1957 ' ' VAL . 57.1 m -76.19 -51.26 12.48 Favored 'General case' 0 C--N 1.316 -0.89 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.471 179.093 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1954 ' ' ALA . . . . . 0.625 ' HA ' HG22 ' A' 1957 ' ' VAL . . . -62.26 -37.67 86.34 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 111.857 0.317 . . . . 0.0 111.857 -175.331 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1955 ' ' ARG . . . . . . . . . . . . . 7.1 ppt_? -66.49 -25.07 66.53 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.809 0.338 . . . . 0.0 110.803 179.69 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1956 ' ' ARG . . . . . 0.499 ' HG3' ' O ' ' A' 1952 ' ' GLU . 47.2 mtm105 -82.53 -43.67 16.85 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.885 176.718 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1957 ' ' VAL . . . . . 0.626 ' O ' HG13 ' A' 1961 ' ' VAL . 12.6 m -68.51 -29.26 43.37 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.168 0 C-N-CA 120.928 -0.309 . . . . 0.0 111.294 -176.18 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1958 ' ' SER . . . . . 0.628 ' O ' HG22 ' A' 1961 ' ' VAL . 36.7 t -64.24 -24.48 67.68 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-O 120.986 0.422 . . . . 0.0 110.216 177.243 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1959 ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -75.32 -39.3 59.65 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 109.95 -0.389 . . . . 0.0 109.95 173.46 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1960 ' ' LYS . . . . . 0.551 ' HB3' ' HG ' ' A' 1923 ' ' LEU . 71.0 mmtt -61.62 -41.7 97.84 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.127 -0.488 . . . . 0.0 109.907 178.712 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1961 ' ' VAL . . . . . 0.746 HG21 ' HB2' ' A' 1865 ' ' ALA . 3.2 m -65.89 -34.08 67.89 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.345 178.718 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1962 ' ' SER . . . . . 0.543 ' HA ' HD12 ' A' 1965 ' ' LEU . 53.9 m -67.61 -24.97 65.54 Favored 'General case' 0 N--CA 1.454 -0.272 0 CA-C-O 121.268 0.556 . . . . 0.0 110.109 177.948 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1963 ' ' HIS . . . . . . . . . . . . . 63.8 m170 -80.03 -27.98 39.38 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.36 179.726 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1964 ' ' VAL . . . . . 0.671 HG11 HD11 ' A' 1896 ' ' LEU . 92.5 t -64.81 -47.59 87.91 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.344 0 N-CA-C 108.583 -0.895 . . . . 0.0 108.583 172.618 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1965 ' ' LEU . . . . . 0.575 ' HG ' ' O ' ' A' 1961 ' ' VAL . 20.7 mt -52.58 -52.83 53.27 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.109 -0.95 . . . . 0.0 109.865 176.689 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1966 ' ' ALA . . . . . . . . . . . . . . . -62.68 -44.35 96.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.763 -0.653 . . . . 0.0 112.069 -178.214 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1967 ' ' ALA . . . . . . . . . . . . . . . -58.5 -46.64 86.28 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-O 120.854 0.359 . . . . 0.0 111.084 179.703 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1968 ' ' LEU . . . . . 0.842 ' HB3' ' HG3' ' A' 1854 ' ' GLN . 4.3 mm? -70.03 -30.09 67.29 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.835 179.189 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1969 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.76 -6.73 46.7 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-O 120.671 0.272 . . . . 0.0 111.252 -179.331 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1970 ' ' ALA . . . . . . . . . . . . . . . -75.64 -10.51 59.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.916 0.388 . . . . 0.0 110.285 176.454 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1971 ' ' GLY . . . . . . . . . . . . . . . -82.23 -154.26 13.73 Favored Glycine 0 N--CA 1.447 -0.62 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.923 176.881 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1972 ' ' ASN . . . . . . . . . . . . . 13.3 m120 60.85 75.04 0.43 Allowed 'General case' 0 N--CA 1.465 0.279 0 CA-C-O 121.134 0.492 . . . . 0.0 110.032 -177.617 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1973 ' ' ARG . . . . . . . . . . . . . 27.4 mmm180 . . . . . 0 C--O 1.246 0.877 0 CA-C-O 118.502 -0.761 . . . . 0.0 110.04 -175.879 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A 1837 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.633 0 N-CA-C 111.574 -0.61 . . . . 0.0 111.574 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A 1838 ' ' ILE . . . . . . . . . . . . . 9.6 tt -149.26 127.16 2.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-O 121.037 0.446 . . . . 0.0 110.437 176.816 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1839 ' ' ASP . . . . . . . . . . . . . 20.5 t70 -69.37 125.64 92.1 Favored Pre-proline 0 C--N 1.325 -0.468 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.008 178.429 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1840 ' ' PRO . . . . . . . . . . . . . 94.1 Cg_endo -81.03 5.61 6.11 Favored 'Trans proline' 0 N--CA 1.464 -0.229 0 C-N-CA 122.803 2.335 . . . . 0.0 113.73 -175.459 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1841 ' ' PHE . . . . . . . . . . . . . 94.2 m-85 -102.86 171.6 7.31 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.045 0.45 . . . . 0.0 110.889 -178.31 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1842 ' ' THR . . . . . . . . . . . . . 23.9 p -121.97 14.67 10.73 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.506 -176.261 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1843 ' ' MET . . . . . . . . . . . . . 67.6 mtm 67.03 169.87 0.25 Allowed 'General case' 0 C--O 1.234 0.272 0 CA-C-N 115.389 -0.823 . . . . 0.0 111.695 179.063 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1844 ' ' GLY . . . . . . . . . . . . . . . -73.27 142.08 30.98 Favored Glycine 0 N--CA 1.447 -0.601 0 C-N-CA 120.785 -0.722 . . . . 0.0 111.551 176.899 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1845 ' ' ASP . . . . . . . . . . . . . 1.3 t70 -92.89 114.47 62.7 Favored Pre-proline 0 C--N 1.321 -0.639 0 CA-C-O 121.246 0.546 . . . . 0.0 111.524 179.815 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1846 ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -93.17 -21.55 0.38 Allowed 'Trans proline' 0 N--CA 1.455 -0.758 0 C-N-CA 123.531 2.821 . . . . 0.0 114.073 177.71 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1847 ' ' GLU . . . . . 0.494 ' HB3' ' HG2' ' A' 1908 ' ' GLU . 2.2 pp20? -107.16 -32.86 7.63 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 113.281 0.845 . . . . 0.0 113.281 -168.699 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1848 ' ' GLY . . . . . . . . . . . . . . . 118.23 -47.37 1.04 Allowed Glycine 0 CA--C 1.527 0.789 0 N-CA-C 115.921 1.129 . . . . 0.0 115.921 171.873 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1849 ' ' SER . . . . . . . . . . . . . 20.8 m -137.3 -21.28 1.19 Allowed 'General case' 0 N--CA 1.469 0.5 0 CA-C-N 118.572 1.186 . . . . 0.0 113.958 -165.858 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1850 ' ' PHE . . . . . 0.439 ' HB3' ' CD ' ' A' 1847 ' ' GLU . 94.2 t80 -61.53 -21.36 64.19 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.924 0.392 . . . . 0.0 111.034 -175.558 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1851 ' ' VAL . . . . . . . . . . . . . 20.9 m -52.17 -33.73 17.11 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.322 0 CA-C-N 115.791 -0.641 . . . . 0.0 112.073 178.229 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1852 ' ' ASP . . . . . . . . . . . . . 13.8 t70 -76.1 -45.61 33.07 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-O 121.099 0.476 . . . . 0.0 110.576 -178.275 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1853 ' ' TYR . . . . . 0.667 ' O ' ' HG2' ' A' 1857 ' ' MET . 52.2 m-85 -69.43 -34.05 73.88 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.602 -177.47 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1854 ' ' GLN . . . . . 0.678 ' HG3' ' HB3' ' A' 1968 ' ' LEU . 31.0 tt0 -58.57 -60.08 4.38 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.823 178.009 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1855 ' ' THR . . . . . . . . . . . . . 23.9 m -63.71 -30.38 71.49 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.795 -0.639 . . . . 0.0 112.471 -173.037 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1856 ' ' THR . . . . . 0.499 HG22 ' O ' ' A' 1853 ' ' TYR . 15.1 t -69.92 -50.08 45.61 Favored 'General case' 0 C--N 1.325 -0.485 0 C-N-CA 120.341 -0.543 . . . . 0.0 111.395 -176.948 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1857 ' ' MET . . . . . 0.688 ' HG3' HD11 ' A' 1968 ' ' LEU . 9.6 ptm -82.1 -16.89 48.4 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 112.258 0.466 . . . . 0.0 112.258 -173.205 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1858 ' ' VAL . . . . . . . . . . . . . 30.6 m -68.72 -40.49 81.63 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.187 0 C-N-CA 119.476 -0.889 . . . . 0.0 108.724 173.626 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1859 ' ' ARG . . . . . 0.575 HH21 ' HD3' ' A' 1862 ' ' LYS . 4.5 mmp_? -64.49 -38.32 90.62 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.683 -0.69 . . . . 0.0 109.867 176.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1860 ' ' THR . . . . . . . . . . . . . 19.4 m -64.74 -45.1 87.91 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.801 177.57 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1861 ' ' ALA . . . . . . . . . . . . . . . -62.04 -40.04 94.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.017 0.437 . . . . 0.0 110.571 177.594 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1862 ' ' LYS . . . . . 0.575 ' HD3' HH21 ' A' 1859 ' ' ARG . 44.9 mttm -64.85 -35.87 82.51 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.511 176.721 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1863 ' ' ALA . . . . . . . . . . . . . . . -69.17 -38.73 78.88 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.424 178.396 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1864 ' ' ILE . . . . . 0.405 HD12 HD22 ' A' 1896 ' ' LEU . 71.4 mt -64.26 -43.82 97.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 116.249 -0.432 . . . . 0.0 109.971 174.213 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1865 ' ' ALA . . . . . 0.807 ' HB2' HG21 ' A' 1961 ' ' VAL . . . -58.55 -45.81 88.15 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.62 179.74 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1866 ' ' VAL . . . . . 0.535 ' O ' ' HG3' ' A' 1870 ' ' GLU . 14.7 p -70.26 -34.7 59.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 C-N-CA 120.369 -0.532 . . . . 0.0 110.451 179.666 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1867 ' ' THR . . . . . 0.642 ' O ' ' HG3' ' A' 1871 ' ' MET . 99.6 m -63.71 -52.7 59.38 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.58 0.229 . . . . 0.0 110.839 177.271 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1868 ' ' VAL . . . . . 0.503 ' HA ' ' SD ' ' A' 1871 ' ' MET . 34.1 m -62.52 -35.03 68.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.6 -0.273 . . . . 0.0 110.817 -177.462 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1869 ' ' GLN . . . . . 0.587 ' O ' HG22 ' A' 1872 ' ' VAL . 2.0 pt20 -74.4 -26.58 60.18 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 120.767 -0.373 . . . . 0.0 110.166 -179.488 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1870 ' ' GLU . . . . . 0.535 ' HG3' ' O ' ' A' 1866 ' ' VAL . 46.0 mt-10 -68.36 -37.2 80.23 Favored 'General case' 0 C--O 1.223 -0.337 0 N-CA-C 109.775 -0.454 . . . . 0.0 109.775 172.755 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1871 ' ' MET . . . . . 0.642 ' HG3' ' O ' ' A' 1867 ' ' THR . 41.7 mtp -60.87 -39.38 88.98 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.778 -178.36 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1872 ' ' VAL . . . . . 0.954 ' HB ' HG13 ' A' 1951 ' ' ILE . 1.9 m -73.17 -28.63 26.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 121.43 0.633 . . . . 0.0 110.597 179.162 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1873 ' ' THR . . . . . . . . . . . . . 28.5 m -80.93 -51.53 8.45 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-N 115.167 -0.924 . . . . 0.0 111.445 -178.116 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1874 ' ' LYS . . . . . 0.529 ' HG3' HD11 ' A' 1885 ' ' LEU . 74.0 mmtt -63.42 -36.14 82.73 Favored 'General case' 0 C--O 1.222 -0.378 0 CA-C-N 115.647 -0.706 . . . . 0.0 111.568 -176.262 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1875 ' ' SER . . . . . 0.543 ' HB3' HD11 ' A' 1882 ' ' LEU . 5.5 p -56.42 -16.72 6.23 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 113.273 0.842 . . . . 0.0 113.273 -173.144 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1876 ' ' ASN . . . . . . . . . . . . . 58.3 m-80 -75.18 -38.01 61.01 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.622 0.249 . . . . 0.0 111.484 -179.188 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1877 ' ' THR . . . . . . . . . . . . . 46.1 p -117.14 -30.21 5.71 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.261 0.553 . . . . 0.0 111.473 -177.655 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1878 ' ' SER . . . . . 0.406 ' HB3' ' HB2' ' A' 1881 ' ' GLU . 70.3 m -125.31 94.0 44.06 Favored Pre-proline 0 C--N 1.319 -0.731 0 CA-C-N 115.663 -0.699 . . . . 0.0 111.613 -174.753 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1879 ' ' PRO . . . . . 0.943 ' HA ' HD12 ' A' 1882 ' ' LEU . 38.0 Cg_endo -86.21 -16.53 4.07 Favored 'Trans proline' 0 N--CA 1.444 -1.387 0 C-N-CA 121.213 1.275 . . . . 0.0 111.435 171.135 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1880 ' ' GLU . . . . . 0.505 ' OE1' ' HD2' ' A' 1879 ' ' PRO . 37.9 mp0 -73.57 -31.93 63.88 Favored 'General case' 0 C--O 1.231 0.081 0 CA-C-O 121.205 0.526 . . . . 0.0 109.837 175.348 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1881 ' ' GLU . . . . . 0.406 ' HB2' ' HB3' ' A' 1878 ' ' SER . 6.2 tp10 -69.76 -14.37 62.74 Favored 'General case' 0 N--CA 1.445 -0.703 0 CA-C-O 121.784 0.802 . . . . 0.0 110.497 -177.588 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1882 ' ' LEU . . . . . 0.943 HD12 ' HA ' ' A' 1879 ' ' PRO . 0.7 OUTLIER -77.76 -6.43 54.01 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.327 -0.851 . . . . 0.0 112.296 -175.78 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A 1883 ' ' GLY . . . . . . . . . . . . . . . -71.62 -61.08 3.99 Favored Glycine 0 N--CA 1.447 -0.589 0 C-N-CA 120.264 -0.969 . . . . 0.0 111.362 173.571 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1884 ' ' PRO . . . . . 0.495 ' HA ' ' OD1' ' A' 1887 ' ' ASN . 37.4 Cg_endo -67.78 -10.13 27.79 Favored 'Trans proline' 0 C--N 1.347 0.496 0 C-N-CA 122.734 2.29 . . . . 0.0 112.875 176.44 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1885 ' ' LEU . . . . . 0.529 HD11 ' HG3' ' A' 1874 ' ' LYS . 36.6 mt -82.21 -36.64 27.04 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.994 0.426 . . . . 0.0 110.58 171.266 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1886 ' ' ALA . . . . . . . . . . . . . . . -71.38 -45.97 61.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.252 -178.466 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1887 ' ' ASN . . . . . 0.495 ' OD1' ' HA ' ' A' 1884 ' ' PRO . 18.3 p-10 -67.99 -26.95 66.16 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.136 0.493 . . . . 0.0 109.729 178.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1888 ' ' GLN . . . . . 0.464 ' HG3' HG21 ' A' 1867 ' ' THR . 25.9 tp60 -69.47 -48.7 59.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.611 177.799 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1889 ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -56.04 -49.35 73.98 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 108.985 -0.746 . . . . 0.0 108.985 175.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1890 ' ' THR . . . . . . . . . . . . . 32.6 m -57.34 -45.37 84.39 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.057 -0.974 . . . . 0.0 111.242 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1891 ' ' SER . . . . . . . . . . . . . 28.8 t -64.7 -46.68 81.31 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.01 -178.757 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1892 ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -67.54 -39.82 85.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.926 -177.336 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1893 ' ' TYR . . . . . . . . . . . . . 43.1 t80 -60.53 -44.18 96.37 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.538 -0.301 . . . . 0.0 110.916 178.215 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1894 ' ' GLY . . . . . . . . . . . . . . . -55.01 -42.01 79.4 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.738 -0.744 . . . . 0.0 111.645 178.586 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1895 ' ' ARG . . . . . . . . . . . . . 37.1 ttp180 -64.05 -47.61 79.51 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.492 -0.354 . . . . 0.0 110.539 177.489 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1896 ' ' LEU . . . . . 0.48 HD12 ' HB2' ' A' 1857 ' ' MET . 51.4 tp -57.42 -47.19 82.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.921 177.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1897 ' ' ALA . . . . . . . . . . . . . . . -63.29 -24.42 67.85 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.311 -179.425 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1898 ' ' SER . . . . . . . . . . . . . 48.4 m -80.03 -23.82 41.18 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.124 -178.013 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1899 ' ' GLN . . . . . 0.445 ' O ' ' HD2' ' A' 1902 ' ' PRO . 80.3 mm-40 -84.12 -21.38 31.43 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.576 179.824 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1900 ' ' ALA . . . . . . . . . . . . . . . -64.59 -33.96 77.15 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.609 -179.809 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1901 ' ' LYS . . . . . 0.685 ' HB3' ' HD3' ' A' 1902 ' ' PRO . 58.8 tptt -64.77 -57.53 16.1 Favored Pre-proline 0 CA--C 1.542 0.666 0 CA-C-N 116.289 -0.414 . . . . 0.0 112.047 -176.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1902 ' ' PRO . . . . . 0.685 ' HD3' ' HB3' ' A' 1901 ' ' LYS . 6.8 Cg_exo -73.41 -24.18 16.7 Favored 'Trans proline' 0 C--N 1.354 0.861 0 C-N-CA 122.024 1.816 . . . . 0.0 112.5 -177.766 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1903 ' ' ALA . . . . . . . . . . . . . . . -72.51 -35.0 68.02 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.896 0.379 . . . . 0.0 111.025 -179.592 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1904 ' ' ALA . . . . . . . . . . . . . . . -72.33 -35.69 68.65 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.078 0.466 . . . . 0.0 110.56 -176.64 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1905 ' ' VAL . . . . . . . . . . . . . 26.4 m -84.18 -7.45 10.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.309 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1906 ' ' ALA . . . . . . . . . . . . . . . -100.38 -13.11 18.9 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.074 0.464 . . . . 0.0 110.593 177.32 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1907 ' ' ALA . . . . . . . . . . . . . . . -79.23 113.22 17.19 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.916 -0.583 . . . . 0.0 111.027 -179.045 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1908 ' ' GLU . . . . . 0.494 ' HG2' ' HB3' ' A' 1847 ' ' GLU . 1.4 pt-20 -65.41 -21.14 66.63 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.198 176.77 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1909 ' ' ASN . . . . . 0.469 ' HB3' HD12 ' A' 1912 ' ' ILE . 27.6 t-20 -93.98 143.43 26.36 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.866 -177.319 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1910 ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -61.83 -53.78 51.24 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.452 179.423 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1911 ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 -63.28 -44.96 93.58 Favored 'General case' 0 N--CA 1.447 -0.581 0 CA-C-N 115.646 -0.707 . . . . 0.0 111.958 -172.56 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1912 ' ' ILE . . . . . 0.583 ' O ' HG13 ' A' 1916 ' ' ILE . 60.2 mt -52.25 -54.45 14.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 123.081 0.238 . . . . 0.0 110.75 -177.888 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1913 ' ' GLY . . . . . . . . . . . . . . . -65.43 -32.33 83.16 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.374 -179.834 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1914 ' ' ALA . . . . . 0.405 ' O ' ' HB2' ' A' 1918 ' ' HIS . . . -74.78 -37.3 62.44 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.85 0.357 . . . . 0.0 111.072 -177.276 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1915 ' ' HIS . . . . . 0.55 ' O ' ' HG2' ' A' 1919 ' ' ARG . 87.2 m-70 -76.74 -38.57 53.98 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.309 -177.781 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1916 ' ' ILE . . . . . 0.583 HG13 ' O ' ' A' 1912 ' ' ILE . 97.5 mt -53.04 -58.14 3.4 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.287 0 CA-C-O 120.932 0.396 . . . . 0.0 110.863 179.331 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1917 ' ' LYS . . . . . . . . . . . . . 53.1 mtmt -67.48 -24.85 65.64 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.361 -178.406 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1918 ' ' HIS . . . . . 0.405 ' HB2' ' O ' ' A' 1914 ' ' ALA . 41.9 t-80 -72.09 -46.79 55.42 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.256 179.536 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1919 ' ' ARG . . . . . 0.55 ' HG2' ' O ' ' A' 1915 ' ' HIS . 27.5 mmt180 -71.83 -39.22 69.92 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.655 -174.267 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1920 ' ' VAL . . . . . . . . . . . . . 34.9 m -64.75 -30.0 49.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 C-N-CA 120.742 -0.383 . . . . 0.0 110.395 178.561 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1921 ' ' GLN . . . . . . . . . . . . . 49.1 tt0 -64.75 -45.37 86.7 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.213 0.53 . . . . 0.0 110.12 175.022 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1922 ' ' GLU . . . . . 0.544 ' HB3' ' HD2' ' A' 1960 ' ' LYS . 33.6 mt-10 -66.25 -33.42 75.7 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.379 -0.828 . . . . 0.0 110.893 179.515 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1923 ' ' LEU . . . . . 0.4 HD23 ' HA ' ' A' 1923 ' ' LEU . 43.5 mt -72.11 -32.72 67.23 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.231 177.727 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1924 ' ' GLY . . . . . . . . . . . . . . . -61.18 -47.1 92.81 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.962 -0.637 . . . . 0.0 112.633 -178.789 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1925 ' ' HIS . . . . . . . . . . . . . 35.6 m80 -74.64 -23.87 58.74 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.996 0.427 . . . . 0.0 110.34 -178.751 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1926 ' ' GLY . . . . . . . . . . . . . . . -72.6 -42.27 48.13 Favored Glycine 0 N--CA 1.447 -0.631 0 C-N-CA 120.51 -0.852 . . . . 0.0 111.197 174.491 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1927 ' ' CYS . . . . . . . . . . . . . 44.4 t -61.43 -48.28 81.88 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.55 -0.325 . . . . 0.0 110.924 178.102 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1928 ' ' SER . . . . . . . . . . . . . 13.1 p -61.95 -39.8 93.34 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.824 0.345 . . . . 0.0 111.267 -178.06 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1929 ' ' ALA . . . . . . . . . . . . . . . -67.66 -44.51 77.69 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.914 0.388 . . . . 0.0 110.722 177.835 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1930 ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -63.27 -52.65 61.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.735 -177.625 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1931 ' ' VAL . . . . . . . . . . . . . 32.6 m -62.62 -27.81 43.61 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.211 0 CA-C-O 120.735 0.302 . . . . 0.0 111.619 -175.873 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1932 ' ' THR . . . . . . . . . . . . . 97.3 m -67.77 -44.83 76.53 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-O 120.859 0.361 . . . . 0.0 110.466 176.48 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1933 ' ' LYS . . . . . 0.405 ' HD3' ' HA ' ' A' 1933 ' ' LYS . 34.0 mmtp -75.73 -29.56 58.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.887 179.612 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1934 ' ' ALA . . . . . . . . . . . . . . . -59.46 -47.53 85.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.839 0.352 . . . . 0.0 110.1 174.47 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1935 ' ' GLY . . . . . . . . . . . . . . . -66.82 -33.31 83.75 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.849 -0.691 . . . . 0.0 111.922 176.605 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1936 ' ' ALA . . . . . . . . . . . . . . . -64.36 -52.93 55.84 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.549 0.214 . . . . 0.0 110.558 178.225 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1937 ' ' LEU . . . . . 0.58 ' HB2' HG22 ' A' 1946 ' ' THR . 35.4 tp -64.36 -31.47 72.69 Favored 'General case' 0 CA--C 1.514 -0.436 0 CA-C-O 121.067 0.461 . . . . 0.0 110.448 179.121 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1938 ' ' GLN . . . . . . . . . . . . . 25.8 tt0 -56.86 -38.87 73.33 Favored 'General case' 0 N--CA 1.447 -0.609 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.01 176.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1939 ' ' CYS . . . . . . . . . . . . . 23.6 t -87.24 -5.67 58.86 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.549 -0.75 . . . . 0.0 111.347 179.789 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1940 ' ' SER . . . . . . . . . . . . . 25.1 p -141.45 72.95 25.44 Favored Pre-proline 0 C--N 1.328 -0.368 0 CA-C-O 121.005 0.431 . . . . 0.0 111.698 -176.122 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1941 ' ' PRO . . . . . 0.705 ' HB3' ' HG3' ' A' 1879 ' ' PRO . 25.0 Cg_exo -64.8 -25.59 60.56 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.655 2.236 . . . . 0.0 112.717 -177.304 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1942 ' ' SER . . . . . . . . . . . . . 33.8 p -90.49 4.62 50.57 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.737 -176.363 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1943 ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -100.29 103.43 14.86 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.045 0.45 . . . . 0.0 111.08 179.497 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1944 ' ' VAL . . . . . 0.486 ' O ' ' HG2' ' A' 1948 ' ' LYS . 12.0 p -68.33 -32.31 55.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.524 179.428 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1945 ' ' TYR . . . . . 0.471 ' O ' ' HG3' ' A' 1949 ' ' GLU . 27.6 m-85 -59.24 -46.9 87.26 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.277 -177.886 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1946 ' ' THR . . . . . 0.58 HG22 ' HB2' ' A' 1937 ' ' LEU . 34.7 m -65.48 -31.9 73.23 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 114.815 -1.084 . . . . 0.0 110.897 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1947 ' ' LYS . . . . . 0.426 ' HG3' ' HB2' ' A' 1875 ' ' SER . 28.1 ttpt -71.76 -43.33 65.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.19 177.922 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1948 ' ' LYS . . . . . 0.55 ' HE2' ' HA ' ' A' 1948 ' ' LYS . 9.8 mmpt? -53.58 -51.06 64.2 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.575 -179.201 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1949 ' ' GLU . . . . . 0.471 ' HG3' ' O ' ' A' 1945 ' ' TYR . 38.7 mt-10 -55.38 -43.06 74.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.509 -0.769 . . . . 0.0 110.462 -178.74 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1950 ' ' LEU . . . . . 0.612 HD11 HD22 ' A' 1882 ' ' LEU . 7.4 tt -63.13 -47.37 83.04 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.778 -178.006 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1951 ' ' ILE . . . . . 0.954 HG13 ' HB ' ' A' 1872 ' ' VAL . 1.7 mp -58.33 -47.31 88.11 Favored 'Isoleucine or valine' 0 C--O 1.235 0.341 0 CA-C-O 120.978 0.418 . . . . 0.0 110.25 178.397 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1952 ' ' GLU . . . . . 0.452 ' HG2' ' O ' ' A' 1948 ' ' LYS . 72.0 mm-40 -65.55 -31.31 72.29 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.847 -179.804 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1953 ' ' CYS . . . . . 0.632 ' O ' ' HG2' ' A' 1956 ' ' ARG . 60.8 m -69.82 -39.64 76.39 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.733 179.568 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1954 ' ' ALA . . . . . 0.418 ' HB3' ' CG1' ' A' 1872 ' ' VAL . . . -70.95 -42.54 69.65 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.709 0.29 . . . . 0.0 111.543 -177.424 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1955 ' ' ARG . . . . . 0.449 ' O ' ' HG3' ' A' 1959 ' ' GLU . 2.7 ptp180 -69.82 -24.86 63.53 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.698 0.285 . . . . 0.0 111.534 -178.523 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1956 ' ' ARG . . . . . 0.632 ' HG2' ' O ' ' A' 1953 ' ' CYS . 10.0 ptm180 -81.47 -24.52 36.72 Favored 'General case' 0 C--N 1.324 -0.519 0 C-N-CA 120.413 -0.515 . . . . 0.0 110.453 -179.835 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1957 ' ' VAL . . . . . 0.404 ' O ' HG13 ' A' 1961 ' ' VAL . 16.4 m -89.2 -28.31 5.21 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.147 0 C-N-CA 120.665 -0.414 . . . . 0.0 111.019 176.206 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1958 ' ' SER . . . . . 0.576 ' O ' HG22 ' A' 1961 ' ' VAL . 11.9 p -62.6 -31.26 72.05 Favored 'General case' 0 C--O 1.231 0.096 0 CA-C-O 121.04 0.447 . . . . 0.0 110.584 178.385 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1959 ' ' GLU . . . . . 0.449 ' HG3' ' O ' ' A' 1955 ' ' ARG . 47.6 mt-10 -61.14 -42.42 98.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.639 0.733 . . . . 0.0 109.503 172.903 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1960 ' ' LYS . . . . . 0.544 ' HD2' ' HB3' ' A' 1922 ' ' GLU . 54.6 mtmt -77.0 -26.82 54.31 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.207 -0.906 . . . . 0.0 112.12 -172.341 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1961 ' ' VAL . . . . . 0.807 HG21 ' HB2' ' A' 1865 ' ' ALA . 4.3 m -68.79 -33.74 61.01 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.201 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 174.051 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1962 ' ' SER . . . . . 0.645 ' HA ' HD12 ' A' 1965 ' ' LEU . 19.2 t -70.67 -24.71 62.74 Favored 'General case' 0 N--CA 1.451 -0.383 0 CA-C-N 115.652 -0.703 . . . . 0.0 109.791 178.844 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1963 ' ' HIS . . . . . 0.419 ' ND1' ' HA ' ' A' 1960 ' ' LYS . 46.2 m170 -73.06 -28.47 62.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.107 178.714 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1964 ' ' VAL . . . . . 0.47 HG11 HD11 ' A' 1896 ' ' LEU . 89.2 t -66.99 -45.22 87.6 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.172 0 N-CA-C 108.906 -0.775 . . . . 0.0 108.906 172.314 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1965 ' ' LEU . . . . . 0.645 HD12 ' HA ' ' A' 1962 ' ' SER . 52.3 mt -53.95 -52.19 61.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.036 -0.984 . . . . 0.0 110.724 178.685 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1966 ' ' ALA . . . . . . . . . . . . . . . -61.71 -46.47 89.51 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.85 -0.614 . . . . 0.0 111.724 -178.069 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1967 ' ' ALA . . . . . . . . . . . . . . . -59.7 -42.57 93.33 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.022 0.439 . . . . 0.0 111.411 -177.561 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1968 ' ' LEU . . . . . 0.688 HD11 ' HG3' ' A' 1857 ' ' MET . 60.9 mt -69.04 -39.86 78.92 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.175 -178.043 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1969 ' ' GLN . . . . . . . . . . . . . 75.7 mt-30 -75.71 -4.28 39.47 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.442 -176.843 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1970 ' ' ALA . . . . . . . . . . . . . . . -79.97 4.57 16.5 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.17 179.616 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1971 ' ' GLY . . . . . . . . . . . . . . . -54.92 -48.58 66.19 Favored Glycine 0 C--N 1.335 0.511 0 N-CA-C 111.592 -0.603 . . . . 0.0 111.592 175.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1972 ' ' ASN . . . . . . . . . . . . . 48.1 m-80 -105.27 81.92 1.77 Allowed 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 109.041 -0.726 . . . . 0.0 109.041 173.047 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1973 ' ' ARG . . . . . . . . . . . . . 68.9 ttt180 . . . . . 0 C--O 1.25 1.111 0 CA-C-O 118.334 -0.841 . . . . 0.0 110.666 -172.66 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A 1837 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.699 0 N-CA-C 111.579 -0.608 . . . . 0.0 111.579 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A 1838 ' ' ILE . . . . . . . . . . . . . 29.5 mt -79.86 -62.33 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 N-CA-C 109.789 -0.449 . . . . 0.0 109.789 178.054 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1839 ' ' ASP . . . . . . . . . . . . . 3.0 m-20 54.44 99.09 0.04 OUTLIER Pre-proline 0 N--CA 1.466 0.37 0 CA-C-N 114.784 -1.098 . . . . 0.0 112.863 175.909 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1840 ' ' PRO . . . . . . . . . . . . . 71.5 Cg_endo -83.76 23.29 0.84 Allowed 'Trans proline' 0 N--CA 1.458 -0.583 0 C-N-CA 123.027 2.484 . . . . 0.0 111.982 178.469 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1841 ' ' PHE . . . . . . . . . . . . . 92.2 m-85 -94.37 -12.89 27.01 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.627 -178.667 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1842 ' ' THR . . . . . . . . . . . . . 9.6 p -79.57 99.16 7.18 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.259 0.552 . . . . 0.0 111.642 -177.642 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1843 ' ' MET . . . . . . . . . . . . . 49.9 ttm -166.48 86.26 0.31 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.234 -0.894 . . . . 0.0 109.287 175.731 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1844 ' ' GLY . . . . . . . . . . . . . . . -74.67 -44.26 26.49 Favored Glycine 0 N--CA 1.445 -0.721 0 C-N-CA 120.9 -0.667 . . . . 0.0 112.085 -178.657 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1845 ' ' ASP . . . . . 0.435 ' HA ' ' HD3' ' A' 1846 ' ' PRO . 50.7 m-20 -117.03 112.56 39.99 Favored Pre-proline 0 C--N 1.323 -0.554 0 CA-C-O 120.76 0.314 . . . . 0.0 110.504 179.422 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1846 ' ' PRO . . . . . 0.785 ' O ' ' HA ' ' A' 1908 ' ' GLU . 5.0 Cg_exo -80.31 44.21 1.68 Allowed 'Trans proline' 0 N--CA 1.46 -0.478 0 C-N-CA 123.308 2.672 . . . . 0.0 110.815 174.796 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1847 ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -179.57 177.67 0.71 Allowed 'General case' 0 N--CA 1.452 -0.373 0 N-CA-C 108.766 -0.827 . . . . 0.0 108.766 -177.441 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1848 ' ' GLY . . . . . . . . . . . . . . . 126.82 -125.3 5.33 Favored Glycine 0 N--CA 1.449 -0.469 0 C-N-CA 120.129 -1.034 . . . . 0.0 113.381 173.689 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1849 ' ' SER . . . . . . . . . . . . . 19.5 m -87.14 28.06 0.97 Allowed 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.942 0.401 . . . . 0.0 111.258 -173.244 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1850 ' ' PHE . . . . . 0.424 ' HA ' ' HD2' ' A' 1853 ' ' TYR . 77.1 t80 -54.37 -28.98 46.89 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.395 176.066 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1851 ' ' VAL . . . . . . . . . . . . . 18.8 m -59.1 -32.27 47.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 115.229 -0.896 . . . . 0.0 112.391 -177.77 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1852 ' ' ASP . . . . . . . . . . . . . 27.8 t70 -74.47 -47.59 32.48 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.763 0.316 . . . . 0.0 110.534 -177.667 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1853 ' ' TYR . . . . . 0.491 ' O ' ' HG2' ' A' 1857 ' ' MET . 27.3 m-85 -63.04 -44.38 96.03 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 109.185 -0.672 . . . . 0.0 109.185 177.695 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1854 ' ' GLN . . . . . 0.803 ' HG3' ' HB3' ' A' 1968 ' ' LEU . 24.4 tt0 -50.21 -59.97 3.43 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 115.2 -0.909 . . . . 0.0 110.66 175.757 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1855 ' ' THR . . . . . 0.776 ' O ' ' HG2' ' A' 1859 ' ' ARG . 27.7 m -58.73 -36.25 74.0 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.996 -178.46 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1856 ' ' THR . . . . . . . . . . . . . 1.3 m -63.43 -58.2 7.81 Favored 'General case' 0 N--CA 1.441 -0.922 0 N-CA-C 112.24 0.459 . . . . 0.0 112.24 -178.284 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1857 ' ' MET . . . . . 0.491 ' HG2' ' O ' ' A' 1853 ' ' TYR . 6.1 ptm -77.13 -18.06 58.18 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 111.94 0.348 . . . . 0.0 111.94 -171.136 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1858 ' ' VAL . . . . . 0.504 ' O ' ' HG3' ' A' 1862 ' ' LYS . 26.3 m -72.25 -31.7 40.13 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.112 0 C-N-CA 119.657 -0.817 . . . . 0.0 109.662 171.697 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1859 ' ' ARG . . . . . 0.776 ' HG2' ' O ' ' A' 1855 ' ' THR . 17.5 mmt180 -70.96 -36.47 72.57 Favored 'General case' 0 CA--C 1.52 -0.188 0 N-CA-C 109.211 -0.662 . . . . 0.0 109.211 174.636 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1860 ' ' THR . . . . . 0.483 HG21 ' HB2' ' A' 1896 ' ' LEU . 9.9 m -61.5 -45.04 95.88 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.334 -0.848 . . . . 0.0 110.42 177.317 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1861 ' ' ALA . . . . . 0.46 ' HB1' ' HB ' ' A' 1961 ' ' VAL . . . -59.52 -40.88 88.6 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.761 178.087 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1862 ' ' LYS . . . . . 0.504 ' HG3' ' O ' ' A' 1858 ' ' VAL . 56.9 mttm -64.73 -43.12 94.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.497 177.669 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1863 ' ' ALA . . . . . . . . . . . . . . . -61.56 -41.87 98.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.47 178.672 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1864 ' ' ILE . . . . . 0.636 ' O ' HG13 ' A' 1868 ' ' VAL . 68.5 mt -63.91 -46.07 95.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.469 176.135 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1865 ' ' ALA . . . . . 0.838 ' HB2' HG21 ' A' 1961 ' ' VAL . . . -58.66 -41.0 85.09 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 112.179 0.437 . . . . 0.0 112.179 -177.735 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1866 ' ' VAL . . . . . . . . . . . . . 12.1 p -72.78 -32.68 41.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 C-N-CA 120.358 -0.537 . . . . 0.0 110.234 179.588 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1867 ' ' THR . . . . . 0.68 ' O ' ' HG3' ' A' 1871 ' ' MET . 86.0 m -63.28 -54.33 38.97 Favored 'General case' 0 C--N 1.332 -0.19 0 C-N-CA 121.31 -0.156 . . . . 0.0 110.733 177.118 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1868 ' ' VAL . . . . . 0.636 HG13 ' O ' ' A' 1864 ' ' ILE . 3.3 m -58.05 -32.65 44.47 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.221 0 CA-C-O 121.662 0.744 . . . . 0.0 110.39 -177.769 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1869 ' ' GLN . . . . . . . . . . . . . 55.1 tp60 -78.21 -33.83 49.7 Favored 'General case' 0 N--CA 1.423 -1.786 0 CA-C-N 115.0 -1.0 . . . . 0.0 110.39 -178.024 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1870 ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 -65.22 -40.86 94.68 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 110.024 -0.361 . . . . 0.0 110.024 171.672 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1871 ' ' MET . . . . . 0.68 ' HG3' ' O ' ' A' 1867 ' ' THR . 52.3 mtp -58.02 -42.45 85.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.863 -178.889 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1872 ' ' VAL . . . . . 0.766 ' HB ' HG13 ' A' 1951 ' ' ILE . 15.5 m -77.14 -28.47 16.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.437 179.888 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1873 ' ' THR . . . . . . . . . . . . . 87.2 m -73.49 -44.85 56.92 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.045 0.45 . . . . 0.0 110.766 177.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1874 ' ' LYS . . . . . . . . . . . . . 69.7 mmtt -66.91 -38.35 86.05 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.679 -177.897 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1875 ' ' SER . . . . . 0.56 ' HB3' HD11 ' A' 1882 ' ' LEU . 4.4 p -62.73 -9.96 11.06 Favored 'General case' 0 CA--C 1.534 0.329 0 N-CA-C 113.153 0.797 . . . . 0.0 113.153 -172.32 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1876 ' ' ASN . . . . . . . . . . . . . 60.5 m-80 -69.79 -29.75 67.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.796 0.332 . . . . 0.0 110.54 177.732 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1877 ' ' THR . . . . . . . . . . . . . 25.1 p -133.28 -32.76 1.16 Allowed 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 112.391 0.515 . . . . 0.0 112.391 -177.11 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1878 ' ' SER . . . . . . . . . . . . . 54.8 m -124.02 109.25 29.77 Favored Pre-proline 0 C--N 1.325 -0.471 0 CA-C-O 120.785 0.326 . . . . 0.0 111.693 -170.716 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1879 ' ' PRO . . . . . 0.918 ' HA ' HD12 ' A' 1882 ' ' LEU . 34.0 Cg_endo -91.83 -14.35 1.55 Allowed 'Trans proline' 0 N--CA 1.443 -1.466 0 C-N-CA 122.183 1.922 . . . . 0.0 112.64 174.678 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1880 ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -77.03 -33.02 57.43 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.884 0.374 . . . . 0.0 110.468 177.36 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1881 ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -61.73 -15.37 40.15 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.842 177.105 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1882 ' ' LEU . . . . . 0.918 HD12 ' HA ' ' A' 1879 ' ' PRO . 0.6 OUTLIER -81.85 -7.51 59.61 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.309 -0.859 . . . . 0.0 112.018 -175.038 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A 1883 ' ' GLY . . . . . . . . . . . . . . . -71.7 -60.34 4.34 Favored Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 120.722 -0.752 . . . . 0.0 111.683 176.09 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1884 ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -55.67 -36.87 95.62 Favored 'Trans proline' 0 C--N 1.347 0.473 0 C-N-CA 122.612 2.208 . . . . 0.0 112.177 177.169 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1885 ' ' LEU . . . . . 0.509 ' HB3' ' HG2' ' A' 1871 ' ' MET . 94.8 mt -67.68 -42.57 81.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.636 -178.077 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1886 ' ' ALA . . . . . . . . . . . . . . . -62.22 -46.67 87.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.052 0.454 . . . . 0.0 110.185 177.95 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1887 ' ' ASN . . . . . . . . . . . . . 4.5 m-20 -62.2 -34.77 77.09 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.584 -0.734 . . . . 0.0 110.69 177.475 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1888 ' ' GLN . . . . . . . . . . . . . 17.8 tp60 -70.48 -48.95 53.31 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.841 -177.634 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1889 ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -56.98 -47.17 81.4 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.303 -0.629 . . . . 0.0 109.303 177.915 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1890 ' ' THR . . . . . . . . . . . . . 52.8 m -59.46 -43.29 93.22 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.106 -0.952 . . . . 0.0 111.13 179.212 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1891 ' ' SER . . . . . . . . . . . . . 32.6 t -65.39 -47.63 75.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.488 -0.324 . . . . 0.0 111.19 -178.516 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1892 ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -66.58 -36.21 82.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.594 -0.275 . . . . 0.0 111.179 -177.518 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1893 ' ' TYR . . . . . . . . . . . . . 36.4 t80 -59.29 -40.75 87.12 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.625 0.25 . . . . 0.0 110.744 177.011 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1894 ' ' GLY . . . . . . . . . . . . . . . -58.33 -37.04 86.24 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.789 -0.719 . . . . 0.0 111.729 178.219 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1895 ' ' ARG . . . . . . . . . . . . . 13.4 ttp180 -70.28 -46.72 63.76 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.922 0.391 . . . . 0.0 110.174 177.669 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1896 ' ' LEU . . . . . 0.485 HD12 ' HB2' ' A' 1857 ' ' MET . 47.5 tp -56.77 -50.66 71.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.696 -0.684 . . . . 0.0 111.504 179.603 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1897 ' ' ALA . . . . . . . . . . . . . . . -64.47 -24.22 67.54 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.82 -176.281 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1898 ' ' SER . . . . . . . . . . . . . 54.1 m -81.34 -41.81 21.48 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.794 0.33 . . . . 0.0 110.438 -175.929 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1899 ' ' GLN . . . . . 0.429 ' HA ' ' OE1' ' A' 1899 ' ' GLN . 16.9 mm-40 -69.21 -12.47 61.7 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.887 -179.561 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1900 ' ' ALA . . . . . 0.402 ' HA ' ' HE1' ' A' 1857 ' ' MET . . . -66.68 -27.21 67.47 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.219 177.842 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1901 ' ' LYS . . . . . 0.492 ' HB3' ' HD3' ' A' 1902 ' ' PRO . 1.7 tmtp? -75.58 -58.39 1.42 Allowed Pre-proline 0 CA--C 1.54 0.584 0 C-N-CA 120.818 -0.353 . . . . 0.0 111.029 -177.471 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1902 ' ' PRO . . . . . 0.492 ' HD3' ' HB3' ' A' 1901 ' ' LYS . 36.6 Cg_endo -66.07 -23.47 53.48 Favored 'Trans proline' 0 C--N 1.356 0.932 0 C-N-CA 122.043 1.829 . . . . 0.0 112.762 -178.658 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1903 ' ' ALA . . . . . . . . . . . . . . . -76.05 -31.84 59.01 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.975 0.417 . . . . 0.0 110.596 177.074 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1904 ' ' ALA . . . . . . . . . . . . . . . -71.77 -31.04 66.21 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.746 -176.348 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1905 ' ' VAL . . . . . . . . . . . . . 35.2 m -92.21 2.49 8.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 115.802 -0.635 . . . . 0.0 111.388 -178.57 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1906 ' ' ALA . . . . . . . . . . . . . . . -119.26 -2.41 10.67 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.847 178.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1907 ' ' ALA . . . . . . . . . . . . . . . -75.0 136.73 41.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.956 -178.378 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1908 ' ' GLU . . . . . 0.785 ' HA ' ' O ' ' A' 1846 ' ' PRO . 1.8 mp0 -60.9 -26.05 67.17 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.904 -0.589 . . . . 0.0 112.382 -177.894 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1909 ' ' ASN . . . . . 0.49 ' OD1' ' HG3' ' A' 1911 ' ' GLU . 14.1 t-20 -137.14 151.5 48.9 Favored 'General case' 0 C--N 1.323 -0.549 0 C-N-CA 120.706 -0.398 . . . . 0.0 111.412 -172.855 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1910 ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -47.77 -53.82 14.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.241 -0.89 . . . . 0.0 111.035 173.316 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1911 ' ' GLU . . . . . 0.49 ' HG3' ' OD1' ' A' 1909 ' ' ASN . 28.4 mt-10 -54.82 -56.67 16.9 Favored 'General case' 0 CA--C 1.515 -0.377 0 CA-C-O 121.296 0.57 . . . . 0.0 111.098 -177.371 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1912 ' ' ILE . . . . . 0.484 HD12 ' CB ' ' A' 1909 ' ' ASN . 35.6 mt -53.2 -39.58 34.93 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.739 0 CA-C-N 114.575 -1.193 . . . . 0.0 111.282 -177.137 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1913 ' ' GLY . . . . . 0.418 ' HA2' HD12 ' A' 1916 ' ' ILE . . . -81.32 -29.97 38.84 Favored Glycine 0 N--CA 1.448 -0.52 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.767 179.04 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1914 ' ' ALA . . . . . . . . . . . . . . . -74.52 -38.92 62.67 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.68 0.276 . . . . 0.0 111.039 -177.28 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1915 ' ' HIS . . . . . 0.49 ' O ' ' HG2' ' A' 1919 ' ' ARG . 87.0 m-70 -62.39 -31.7 72.42 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.637 -179.161 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1916 ' ' ILE . . . . . 0.434 HG13 ' O ' ' A' 1912 ' ' ILE . 82.5 mt -56.06 -58.38 5.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.14 178.688 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1917 ' ' LYS . . . . . 0.411 ' HE2' ' HB2' ' A' 1917 ' ' LYS . 3.8 mppt? -65.1 -26.82 68.38 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-O 120.947 0.404 . . . . 0.0 111.326 -177.131 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1918 ' ' HIS . . . . . 0.418 ' O ' ' HG2' ' A' 1922 ' ' GLU . 0.2 OUTLIER -72.42 -41.41 66.23 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.752 0.31 . . . . 0.0 110.909 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A 1919 ' ' ARG . . . . . 0.49 ' HG2' ' O ' ' A' 1915 ' ' HIS . 23.5 mmt180 -81.5 -26.41 35.18 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 112.126 0.417 . . . . 0.0 112.126 -173.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1920 ' ' VAL . . . . . . . . . . . . . 34.9 m -72.42 -31.85 39.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 C-N-CA 120.227 -0.589 . . . . 0.0 110.184 175.602 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1921 ' ' GLN . . . . . . . . . . . . . 23.6 tp60 -67.03 -29.72 69.61 Favored 'General case' 0 C--O 1.236 0.373 0 CA-C-O 121.281 0.563 . . . . 0.0 109.939 176.142 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1922 ' ' GLU . . . . . 0.734 ' HB3' ' HD2' ' A' 1960 ' ' LYS . 11.6 mm-40 -59.95 -53.48 57.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.536 -0.757 . . . . 0.0 110.669 176.694 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1923 ' ' LEU . . . . . . . . . . . . . 49.0 mt -67.12 -24.0 65.88 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.754 178.941 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1924 ' ' GLY . . . . . . . . . . . . . . . -60.53 -40.54 97.92 Favored Glycine 0 N--CA 1.453 -0.209 0 C-N-CA 121.07 -0.585 . . . . 0.0 112.212 175.216 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1925 ' ' HIS . . . . . . . . . . . . . 39.4 m80 -76.11 -33.3 59.46 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.176 0.512 . . . . 0.0 109.936 177.588 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1926 ' ' GLY . . . . . 0.408 ' HA3' HG12 ' A' 1957 ' ' VAL . . . -72.38 -52.7 9.96 Favored Glycine 0 N--CA 1.447 -0.627 0 CA-C-N 115.522 -0.763 . . . . 0.0 113.196 -176.735 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1927 ' ' CYS . . . . . . . . . . . . . 24.1 p -60.15 -44.66 94.79 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.861 0.331 . . . . 0.0 111.117 -176.467 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1928 ' ' SER . . . . . . . . . . . . . 40.4 t -58.37 -42.34 86.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.635 -179.719 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1929 ' ' ALA . . . . . . . . . . . . . . . -70.55 -43.77 68.85 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.915 0.388 . . . . 0.0 110.803 178.377 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1930 ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -63.34 -48.37 78.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.207 -177.022 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1931 ' ' VAL . . . . . . . . . . . . . 32.5 m -64.86 -28.86 45.78 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 CA-C-O 120.755 0.312 . . . . 0.0 110.949 -177.746 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1932 ' ' THR . . . . . . . . . . . . . 58.7 m -68.93 -40.84 78.78 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.192 176.178 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1933 ' ' LYS . . . . . . . . . . . . . 72.5 mmtt -71.59 -35.66 70.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.339 178.324 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1934 ' ' ALA . . . . . . . . . . . . . . . -61.62 -48.33 81.36 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.381 175.309 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1935 ' ' GLY . . . . . . . . . . . . . . . -67.77 -32.63 78.32 Favored Glycine 0 N--CA 1.449 -0.47 0 C-N-CA 121.058 -0.592 . . . . 0.0 112.269 178.395 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1936 ' ' ALA . . . . . . . . . . . . . . . -67.79 -47.13 69.98 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.605 0.24 . . . . 0.0 110.793 178.045 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1937 ' ' LEU . . . . . 0.425 ' HB2' HG22 ' A' 1946 ' ' THR . 20.3 tp -69.92 -29.14 66.23 Favored 'General case' 0 CA--C 1.514 -0.413 0 CA-C-O 121.171 0.51 . . . . 0.0 110.531 179.662 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1938 ' ' GLN . . . . . 0.554 ' HA ' ' HB2' ' A' 1879 ' ' PRO . 29.1 tt0 -68.8 -28.62 66.93 Favored 'General case' 0 N--CA 1.443 -0.813 0 N-CA-C 109.558 -0.534 . . . . 0.0 109.558 177.591 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1939 ' ' CYS . . . . . . . . . . . . . 41.9 t -80.8 -48.27 12.7 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.661 -0.699 . . . . 0.0 109.954 175.491 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1940 ' ' SER . . . . . . . . . . . . . 24.5 m -112.9 90.63 15.92 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.098 176.906 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1941 ' ' PRO . . . . . 0.419 ' HB3' ' HG3' ' A' 1879 ' ' PRO . 94.2 Cg_endo -80.57 -8.13 13.64 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.568 2.179 . . . . 0.0 113.614 -172.543 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1942 ' ' SER . . . . . . . . . . . . . 9.7 t -106.96 -6.64 17.4 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.748 0.308 . . . . 0.0 110.84 -176.12 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1943 ' ' ASP . . . . . . . . . . . . . 18.1 t70 -81.78 107.48 14.55 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.886 0.374 . . . . 0.0 110.149 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1944 ' ' VAL . . . . . . . . . . . . . 11.1 p -67.59 -33.62 63.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.09 -175.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1945 ' ' TYR . . . . . . . . . . . . . 95.5 m-85 -60.43 -43.7 96.52 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.935 0.398 . . . . 0.0 110.311 -178.293 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1946 ' ' THR . . . . . 0.425 HG22 ' HB2' ' A' 1937 ' ' LEU . 63.7 m -60.17 -41.06 92.04 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.663 176.191 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1947 ' ' LYS . . . . . . . . . . . . . 18.1 ttpt -63.33 -44.66 94.25 Favored 'General case' 0 N--CA 1.455 -0.196 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.458 -179.132 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1948 ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -60.94 -41.89 97.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.507 -0.315 . . . . 0.0 110.442 -176.453 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1949 ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -60.77 -28.71 68.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.828 178.779 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1950 ' ' LEU . . . . . 0.48 HD11 HD22 ' A' 1882 ' ' LEU . 6.4 tt -74.78 -54.91 6.46 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.113 179.497 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1951 ' ' ILE . . . . . 0.766 HG13 ' HB ' ' A' 1872 ' ' VAL . 2.1 mp -61.76 -48.08 90.33 Favored 'Isoleucine or valine' 0 C--O 1.234 0.285 0 CA-C-O 120.989 0.423 . . . . 0.0 111.122 -178.447 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1952 ' ' GLU . . . . . 0.588 ' O ' ' HG2' ' A' 1956 ' ' ARG . 33.5 mt-10 -68.2 -19.0 64.73 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.706 -175.401 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1953 ' ' CYS . . . . . . . . . . . . . 10.1 t -88.01 -36.55 16.95 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 121.004 -0.278 . . . . 0.0 110.754 178.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1954 ' ' ALA . . . . . 0.415 ' O ' HG22 ' A' 1957 ' ' VAL . . . -63.06 -33.58 75.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.048 0.451 . . . . 0.0 111.172 -178.948 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1955 ' ' ARG . . . . . . . . . . . . . 6.9 ptm180 -72.24 -22.58 61.22 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.626 177.464 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1956 ' ' ARG . . . . . 0.588 ' HG2' ' O ' ' A' 1952 ' ' GLU . 24.6 mmm180 -75.33 -38.83 59.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.198 0.523 . . . . 0.0 109.606 177.289 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1957 ' ' VAL . . . . . 0.549 ' O ' HG13 ' A' 1961 ' ' VAL . 6.6 m -79.83 -26.3 12.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.247 -177.231 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1958 ' ' SER . . . . . 0.531 ' O ' HG22 ' A' 1961 ' ' VAL . 6.8 p -64.39 -24.74 67.74 Favored 'General case' 0 CA--C 1.532 0.255 0 CA-C-O 121.182 0.515 . . . . 0.0 110.258 177.154 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1959 ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -70.03 -40.99 74.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.21 0.529 . . . . 0.0 110.211 172.204 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1960 ' ' LYS . . . . . 0.734 ' HD2' ' HB3' ' A' 1922 ' ' GLU . 72.1 mmtt -66.43 -37.76 85.9 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.859 -175.675 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1961 ' ' VAL . . . . . 0.838 HG21 ' HB2' ' A' 1865 ' ' ALA . 2.8 m -63.56 -35.11 71.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 120.938 0.399 . . . . 0.0 110.142 -179.829 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1962 ' ' SER . . . . . 0.525 ' HA ' HD12 ' A' 1965 ' ' LEU . 46.8 t -69.32 -27.55 65.47 Favored 'General case' 0 N--CA 1.452 -0.355 0 CA-C-N 115.921 -0.581 . . . . 0.0 109.937 177.804 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1963 ' ' HIS . . . . . . . . . . . . . 56.5 m170 -75.63 -31.39 59.85 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.916 -0.583 . . . . 0.0 110.101 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1964 ' ' VAL . . . . . 0.436 ' O ' HD23 ' A' 1968 ' ' LEU . 94.9 t -63.69 -43.37 98.04 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.226 0 N-CA-C 109.091 -0.707 . . . . 0.0 109.091 171.848 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1965 ' ' LEU . . . . . 0.592 ' HG ' ' O ' ' A' 1961 ' ' VAL . 63.0 mt -57.73 -47.52 82.22 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.369 -0.832 . . . . 0.0 110.456 178.498 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1966 ' ' ALA . . . . . . . . . . . . . . . -67.83 -42.61 81.19 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.757 -178.946 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1967 ' ' ALA . . . . . . . . . . . . . . . -60.56 -46.59 89.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.454 -177.538 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1968 ' ' LEU . . . . . 0.803 ' HB3' ' HG3' ' A' 1854 ' ' GLN . 4.2 mm? -73.26 -38.36 66.0 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.497 -177.906 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1969 ' ' GLN . . . . . . . . . . . . . 46.6 mt-30 -89.15 28.42 1.22 Allowed 'General case' 0 C--O 1.235 0.329 0 CA-C-O 121.03 0.443 . . . . 0.0 111.232 -177.028 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1970 ' ' ALA . . . . . 0.413 ' HB3' HG23 ' A' 1912 ' ' ILE . . . -75.78 167.94 20.95 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.653 178.291 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1971 ' ' GLY . . . . . . . . . . . . . . . 95.97 -149.45 19.33 Favored Glycine 0 N--CA 1.446 -0.637 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.408 178.541 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1972 ' ' ASN . . . . . . . . . . . . . 6.0 t-20 -95.51 -50.68 4.87 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.832 0.349 . . . . 0.0 110.76 -178.203 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1973 ' ' ARG . . . . . . . . . . . . . 12.2 ptm180 . . . . . 0 C--O 1.248 0.996 0 CA-C-O 118.792 -0.623 . . . . 0.0 110.969 -176.493 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A 1837 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.67 0 N-CA-C 111.46 -0.656 . . . . 0.0 111.46 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A 1838 ' ' ILE . . . . . . . . . . . . . 59.5 mt -84.93 87.86 2.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 N-CA-C 109.11 -0.7 . . . . 0.0 109.11 175.65 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1839 ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -119.47 114.67 34.4 Favored Pre-proline 0 C--N 1.32 -0.701 0 CA-C-N 115.312 -0.858 . . . . 0.0 110.24 -178.09 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1840 ' ' PRO . . . . . . . . . . . . . 31.4 Cg_exo -58.5 -47.09 20.54 Favored 'Trans proline' 0 N--CA 1.463 -0.268 0 C-N-CA 122.358 2.039 . . . . 0.0 110.324 175.438 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1841 ' ' PHE . . . . . . . . . . . . . 43.5 p90 -148.38 172.9 13.67 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 114.847 -1.07 . . . . 0.0 108.529 172.234 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1842 ' ' THR . . . . . . . . . . . . . 77.5 p -108.15 -89.16 0.47 Allowed 'General case' 0 C--N 1.314 -0.946 0 C-N-CA 120.742 -0.383 . . . . 0.0 111.605 -176.182 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1843 ' ' MET . . . . . . . . . . . . . 45.7 ttm 176.61 -32.67 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.055 -0.52 . . . . 0.0 109.759 -176.013 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1844 ' ' GLY . . . . . . . . . . . . . . . 112.07 40.58 1.15 Allowed Glycine 0 N--CA 1.447 -0.571 0 N-CA-C 110.338 -1.105 . . . . 0.0 110.338 -172.481 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1845 ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -51.22 144.57 15.0 Favored Pre-proline 0 C--O 1.233 0.198 0 C-N-CA 123.645 0.778 . . . . 0.0 111.611 -173.798 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1846 ' ' PRO . . . . . . . . . . . . . 9.3 Cg_endo -53.08 -57.45 2.02 Favored 'Trans proline' 0 C--N 1.344 0.311 0 C-N-CA 123.113 2.542 . . . . 0.0 111.949 -179.225 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1847 ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -96.87 14.85 23.89 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.324 0.583 . . . . 0.0 110.259 177.612 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1848 ' ' GLY . . . . . . . . . . . . . . . 71.4 -174.57 41.45 Favored Glycine 0 N--CA 1.45 -0.371 0 CA-C-N 115.231 -0.895 . . . . 0.0 113.198 175.006 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1849 ' ' SER . . . . . . . . . . . . . 3.1 t -89.4 38.04 0.89 Allowed 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 108.679 -0.86 . . . . 0.0 108.679 175.251 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1850 ' ' PHE . . . . . . . . . . . . . 86.5 t80 -52.62 -28.71 22.45 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 114.647 -1.16 . . . . 0.0 111.595 -176.793 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1851 ' ' VAL . . . . . . . . . . . . . 16.8 m -57.98 -29.97 37.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 N-CA-C 112.63 0.604 . . . . 0.0 112.63 -175.8 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1852 ' ' ASP . . . . . . . . . . . . . 15.7 m-20 -70.17 -51.85 27.99 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 121.042 0.449 . . . . 0.0 110.358 -179.624 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1853 ' ' TYR . . . . . . . . . . . . . 10.0 m-85 -69.81 -33.47 72.38 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.62 -0.718 . . . . 0.0 109.866 -179.039 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1854 ' ' GLN . . . . . 1.014 ' HG3' ' HB3' ' A' 1968 ' ' LEU . 54.3 tt0 -55.65 -58.25 8.6 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.225 -0.898 . . . . 0.0 110.704 176.954 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1855 ' ' THR . . . . . 0.498 ' O ' ' HG2' ' A' 1859 ' ' ARG . 14.5 m -60.34 -26.75 66.81 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.556 -0.747 . . . . 0.0 111.051 -178.604 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1856 ' ' THR . . . . . 0.505 HG21 ' HG3' ' A' 1899 ' ' GLN . 1.2 m -71.51 -58.58 3.37 Favored 'General case' 0 N--CA 1.444 -0.745 0 N-CA-C 112.475 0.546 . . . . 0.0 112.475 -176.57 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1857 ' ' MET . . . . . 0.699 ' SD ' HD21 ' A' 1968 ' ' LEU . 5.9 ptp -76.94 -18.77 58.04 Favored 'General case' 0 C--N 1.331 -0.229 0 C-N-CA 120.292 -0.563 . . . . 0.0 111.958 -170.27 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1858 ' ' VAL . . . . . 0.455 ' O ' ' HG3' ' A' 1862 ' ' LYS . 23.9 m -66.63 -34.27 68.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 C-N-CA 119.683 -0.807 . . . . 0.0 109.216 173.111 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1859 ' ' ARG . . . . . 0.498 ' HG2' ' O ' ' A' 1855 ' ' THR . 25.7 mmm180 -69.99 -44.65 68.95 Favored 'General case' 0 CA--C 1.52 -0.182 0 CA-C-N 116.105 -0.498 . . . . 0.0 109.938 176.563 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1860 ' ' THR . . . . . . . . . . . . . 6.3 m -61.41 -41.05 96.54 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.846 179.483 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1861 ' ' ALA . . . . . . . . . . . . . . . -63.15 -42.21 99.4 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.442 -0.345 . . . . 0.0 110.88 178.287 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1862 ' ' LYS . . . . . 0.455 ' HG3' ' O ' ' A' 1858 ' ' VAL . 59.1 mttm -62.71 -36.48 83.08 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.291 177.333 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1863 ' ' ALA . . . . . . . . . . . . . . . -66.58 -44.7 81.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.299 178.733 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1864 ' ' ILE . . . . . . . . . . . . . 77.9 mt -60.56 -42.81 92.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.147 176.159 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1865 ' ' ALA . . . . . 0.704 ' HB2' HG21 ' A' 1961 ' ' VAL . . . -60.12 -40.4 89.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.891 -179.433 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1866 ' ' VAL . . . . . 0.639 ' HA ' ' HG2' ' A' 1869 ' ' GLN . 8.3 p -78.38 -29.73 15.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 C-N-CA 120.322 -0.551 . . . . 0.0 110.528 179.551 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1867 ' ' THR . . . . . 0.636 ' O ' ' HG3' ' A' 1871 ' ' MET . 62.7 m -65.35 -51.0 63.47 Favored 'General case' 0 C--N 1.332 -0.186 0 C-N-CA 120.996 -0.281 . . . . 0.0 110.412 174.812 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1868 ' ' VAL . . . . . 0.481 ' O ' HG13 ' A' 1872 ' ' VAL . 32.6 m -63.13 -36.19 74.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.473 -0.33 . . . . 0.0 111.023 -177.839 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1869 ' ' GLN . . . . . 0.639 ' HG2' ' HA ' ' A' 1866 ' ' VAL . 6.6 pt20 -72.58 -30.57 64.5 Favored 'General case' 0 N--CA 1.452 -0.351 0 C-N-CA 120.498 -0.481 . . . . 0.0 110.116 179.457 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1870 ' ' GLU . . . . . 0.647 ' O ' ' HG2' ' A' 1874 ' ' LYS . 24.9 mt-10 -60.97 -44.09 97.83 Favored 'General case' 0 CA--C 1.515 -0.376 0 N-CA-C 109.812 -0.44 . . . . 0.0 109.812 172.662 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1871 ' ' MET . . . . . 0.636 ' HG3' ' O ' ' A' 1867 ' ' THR . 35.5 mtp -57.94 -43.23 86.2 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.961 -177.444 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1872 ' ' VAL . . . . . 0.844 ' HB ' HG13 ' A' 1951 ' ' ILE . 1.5 m -69.12 -29.07 41.62 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.317 0 CA-C-O 121.479 0.657 . . . . 0.0 110.555 179.357 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1873 ' ' THR . . . . . . . . . . . . . 91.8 m -77.81 -45.77 23.48 Favored 'General case' 0 N--CA 1.443 -0.822 0 CA-C-N 114.882 -1.054 . . . . 0.0 110.98 -178.463 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1874 ' ' LYS . . . . . 0.647 ' HG2' ' O ' ' A' 1870 ' ' GLU . 33.8 mmtp -67.48 -31.61 71.86 Favored 'General case' 0 C--O 1.219 -0.537 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.241 -176.186 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1875 ' ' SER . . . . . . . . . . . . . 46.4 m -63.38 -5.81 4.03 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 112.232 0.456 . . . . 0.0 112.232 -176.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1876 ' ' ASN . . . . . . . . . . . . . 87.2 m-20 -88.43 -23.78 23.21 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.751 -0.204 . . . . 0.0 111.133 179.142 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1877 ' ' THR . . . . . . . . . . . . . 16.9 p -136.83 -43.35 0.59 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.929 0.395 . . . . 0.0 111.788 -176.873 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1878 ' ' SER . . . . . 0.419 ' HB3' ' HG2' ' A' 1881 ' ' GLU . 64.5 m -111.41 90.77 12.63 Favored Pre-proline 0 C--N 1.322 -0.611 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.974 -176.66 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1879 ' ' PRO . . . . . 0.887 ' HA ' HD12 ' A' 1882 ' ' LEU . 12.3 Cg_endo -94.02 15.45 1.27 Allowed 'Trans proline' 0 N--CA 1.447 -1.25 0 C-N-CA 122.185 1.923 . . . . 0.0 111.769 176.677 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1880 ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -111.22 -17.72 13.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.959 -0.564 . . . . 0.0 112.314 179.6 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1881 ' ' GLU . . . . . 0.419 ' HG2' ' HB3' ' A' 1878 ' ' SER . 8.6 pt-20 -90.77 -10.83 41.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.137 0.494 . . . . 0.0 111.051 179.222 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1882 ' ' LEU . . . . . 0.887 HD12 ' HA ' ' A' 1879 ' ' PRO . 0.8 OUTLIER -59.61 -30.46 68.71 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 113.02 0.748 . . . . 0.0 113.02 -177.205 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A 1883 ' ' GLY . . . . . . . . . . . . . . . -57.01 -60.78 8.41 Favored Glycine 0 CA--C 1.519 0.33 0 C-N-CA 120.898 -0.667 . . . . 0.0 112.055 176.242 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1884 ' ' PRO . . . . . . . . . . . . . 71.0 Cg_exo -49.68 -44.08 37.29 Favored 'Trans proline' 0 C--N 1.347 0.451 0 C-N-CA 122.767 2.311 . . . . 0.0 112.454 171.668 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1885 ' ' LEU . . . . . 0.567 HD11 ' HG3' ' A' 1874 ' ' LYS . 64.9 mt -60.55 -41.37 94.38 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.799 0.333 . . . . 0.0 111.318 -179.788 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1886 ' ' ALA . . . . . 0.419 ' HB1' ' HB ' ' A' 1931 ' ' VAL . . . -64.22 -41.79 96.86 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.128 0.49 . . . . 0.0 110.372 177.527 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1887 ' ' ASN . . . . . . . . . . . . . 52.0 t30 -63.73 -39.02 93.27 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.84 -0.618 . . . . 0.0 109.864 176.313 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1888 ' ' GLN . . . . . . . . . . . . . 22.9 tp60 -61.23 -49.44 77.11 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.415 -0.811 . . . . 0.0 110.796 179.103 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1889 ' ' LEU . . . . . . . . . . . . . 1.1 tt -56.2 -49.86 72.89 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 176.753 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1890 ' ' THR . . . . . . . . . . . . . 82.2 m -57.44 -37.61 73.09 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.005 -0.998 . . . . 0.0 111.533 -179.451 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1891 ' ' SER . . . . . . . . . . . . . 52.5 m -67.29 -45.38 76.74 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.552 -177.613 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1892 ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -77.2 -25.3 51.63 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 112.198 0.444 . . . . 0.0 112.198 -175.504 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1893 ' ' TYR . . . . . . . . . . . . . 47.7 t80 -60.03 -39.53 86.17 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 120.366 -0.534 . . . . 0.0 110.424 174.781 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1894 ' ' GLY . . . . . . . . . . . . . . . -60.48 -35.99 90.22 Favored Glycine 0 C--O 1.229 -0.211 0 C-N-CA 120.961 -0.638 . . . . 0.0 111.957 178.461 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1895 ' ' ARG . . . . . . . . . . . . . 10.3 ttm180 -67.99 -45.89 72.85 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.277 0.561 . . . . 0.0 109.786 177.259 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1896 ' ' LEU . . . . . 0.538 HD11 HG11 ' A' 1964 ' ' VAL . 43.0 tp -59.66 -57.08 14.48 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.118 -0.946 . . . . 0.0 111.847 -178.445 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1897 ' ' ALA . . . . . . . . . . . . . . . -64.68 -24.43 67.57 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.951 -0.568 . . . . 0.0 112.398 -172.582 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1898 ' ' SER . . . . . . . . . . . . . 67.8 m -80.22 -31.17 38.62 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.898 0.38 . . . . 0.0 110.84 -173.696 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1899 ' ' GLN . . . . . 0.505 ' HG3' HG21 ' A' 1856 ' ' THR . 21.0 mm-40 -79.18 -6.26 56.15 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.852 -179.474 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1900 ' ' ALA . . . . . . . . . . . . . . . -72.15 -30.87 65.44 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.684 177.197 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1901 ' ' LYS . . . . . 0.412 ' HB3' ' HD3' ' A' 1902 ' ' PRO . 56.5 tptt -62.43 -58.23 18.32 Favored Pre-proline 0 CA--C 1.538 0.504 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.701 -178.636 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1902 ' ' PRO . . . . . 0.412 ' HD3' ' HB3' ' A' 1901 ' ' LYS . 48.7 Cg_endo -68.75 -23.01 36.27 Favored 'Trans proline' 0 C--N 1.355 0.907 0 C-N-CA 121.852 1.701 . . . . 0.0 112.453 -178.747 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1903 ' ' ALA . . . . . . . . . . . . . . . -76.29 -39.48 54.11 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.95 179.606 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1904 ' ' ALA . . . . . . . . . . . . . . . -72.84 -31.69 64.95 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.839 -175.385 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1905 ' ' VAL . . . . . . . . . . . . . 35.2 m -82.37 -21.18 9.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.984 179.522 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1906 ' ' ALA . . . . . . . . . . . . . . . -82.28 -39.7 22.57 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.878 0.37 . . . . 0.0 110.294 177.19 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1907 ' ' ALA . . . . . . . . . . . . . . . -64.84 117.54 7.69 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.943 179.097 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1908 ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -65.4 -40.24 93.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.673 -0.694 . . . . 0.0 111.401 179.791 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1909 ' ' ASN . . . . . 0.734 ' HB3' HG13 ' A' 1912 ' ' ILE . 49.1 t-20 -74.43 129.05 37.05 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.026 -178.071 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1910 ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -47.83 -50.45 26.13 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.335 -0.848 . . . . 0.0 111.791 178.481 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1911 ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -70.06 -31.72 69.47 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.777 -0.647 . . . . 0.0 112.542 -170.121 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1912 ' ' ILE . . . . . 0.734 HG13 ' HB3' ' A' 1909 ' ' ASN . 62.1 mt -55.35 -54.5 24.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 C-N-CA 120.735 -0.386 . . . . 0.0 110.791 -177.95 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1913 ' ' GLY . . . . . . . . . . . . . . . -73.46 -32.84 59.32 Favored Glycine 0 N--CA 1.447 -0.572 0 C-N-CA 120.646 -0.788 . . . . 0.0 112.034 -178.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1914 ' ' ALA . . . . . . . . . . . . . . . -66.09 -41.64 90.39 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.733 0.302 . . . . 0.0 110.347 -178.709 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1915 ' ' HIS . . . . . 0.638 ' O ' ' HG2' ' A' 1919 ' ' ARG . 60.0 m-70 -60.38 -50.44 73.58 Favored 'General case' 0 CA--C 1.515 -0.378 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.652 178.79 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1916 ' ' ILE . . . . . . . . . . . . . 85.7 mt -50.93 -53.2 14.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.643 178.214 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1917 ' ' LYS . . . . . 0.514 ' HA ' HG22 ' A' 1920 ' ' VAL . 18.8 mtpp -63.32 -36.43 83.66 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.463 -0.789 . . . . 0.0 111.928 -178.212 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1918 ' ' HIS . . . . . . . . . . . . . 40.4 m-70 -69.12 -30.83 69.19 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.998 0.428 . . . . 0.0 111.499 178.375 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1919 ' ' ARG . . . . . 0.638 ' HG2' ' O ' ' A' 1915 ' ' HIS . 0.3 OUTLIER -81.84 -37.64 26.7 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.589 -0.278 . . . . 0.0 111.095 -177.658 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A 1920 ' ' VAL . . . . . 0.514 HG22 ' HA ' ' A' 1917 ' ' LYS . 30.2 m -68.45 -27.27 35.96 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.172 0 N-CA-C 109.787 -0.449 . . . . 0.0 109.787 174.621 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1921 ' ' GLN . . . . . . . . . . . . . 30.4 mt-30 -58.39 -54.07 51.12 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-O 121.211 0.529 . . . . 0.0 110.233 170.369 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1922 ' ' GLU . . . . . 1.02 ' HB3' ' HD3' ' A' 1960 ' ' LYS . 51.9 mm-40 -56.51 -40.28 74.75 Favored 'General case' 0 N--CA 1.45 -0.45 0 CA-C-N 115.372 -0.831 . . . . 0.0 111.213 -179.628 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1923 ' ' LEU . . . . . . . . . . . . . 66.9 mt -73.0 -27.71 61.94 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.092 -0.503 . . . . 0.0 111.486 179.313 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1924 ' ' GLY . . . . . . . . . . . . . . . -62.24 -57.57 16.36 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.665 -0.779 . . . . 0.0 112.31 -179.864 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1925 ' ' HIS . . . . . 0.468 ' NE2' ' HA ' ' A' 1922 ' ' GLU . 2.6 p-80 -78.46 -18.44 54.87 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.801 0.334 . . . . 0.0 111.326 178.218 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1926 ' ' GLY . . . . . . . . . . . . . . . -76.06 -48.73 9.38 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.758 179.141 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1927 ' ' CYS . . . . . . . . . . . . . 63.4 m -69.06 -32.67 72.31 Favored 'General case' 0 C--N 1.329 -0.324 0 O-C-N 122.763 -0.257 . . . . 0.0 111.155 -177.365 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1928 ' ' SER . . . . . . . . . . . . . 13.4 p -63.99 -23.64 67.41 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.903 0.382 . . . . 0.0 110.787 179.801 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1929 ' ' ALA . . . . . . . . . . . . . . . -77.39 -43.85 31.3 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.131 0.491 . . . . 0.0 110.105 176.079 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1930 ' ' LEU . . . . . 0.437 ' HG ' ' HB3' ' A' 1953 ' ' CYS . 0.5 OUTLIER -62.73 -47.88 81.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.465 -178.373 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A 1931 ' ' VAL . . . . . 0.419 ' HB ' ' HB1' ' A' 1886 ' ' ALA . 31.5 m -62.91 -30.84 50.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.505 -0.316 . . . . 0.0 111.35 -176.533 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1932 ' ' THR . . . . . . . . . . . . . 75.5 m -71.59 -42.7 67.41 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.507 -0.315 . . . . 0.0 110.602 175.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1933 ' ' LYS . . . . . . . . . . . . . 33.9 mmtp -66.99 -36.55 82.42 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.653 -0.249 . . . . 0.0 110.771 179.084 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1934 ' ' ALA . . . . . . . . . . . . . . . -59.17 -51.15 71.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.554 175.732 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1935 ' ' GLY . . . . . . . . . . . . . . . -63.33 -37.08 94.29 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.832 -0.699 . . . . 0.0 112.166 178.005 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1936 ' ' ALA . . . . . . . . . . . . . . . -65.84 -47.3 75.43 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.507 0.194 . . . . 0.0 111.157 179.846 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1937 ' ' LEU . . . . . 0.499 ' HB2' HG22 ' A' 1946 ' ' THR . 29.8 tp -67.48 -32.15 72.78 Favored 'General case' 0 CA--C 1.514 -0.422 0 CA-C-O 121.278 0.561 . . . . 0.0 110.095 178.406 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1938 ' ' GLN . . . . . 0.471 ' HG3' ' O ' ' A' 1879 ' ' PRO . 28.6 tt0 -66.69 -31.09 71.53 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.746 179.813 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1939 ' ' CYS . . . . . . . . . . . . . 60.4 m -86.43 -22.13 26.7 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.813 177.147 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1940 ' ' SER . . . . . . . . . . . . . 67.3 m -138.98 79.7 26.23 Favored Pre-proline 0 C--N 1.326 -0.418 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.746 178.876 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1941 ' ' PRO . . . . . . . . . . . . . 43.4 Cg_endo -69.62 -14.52 36.66 Favored 'Trans proline' 0 C--N 1.343 0.268 0 C-N-CA 122.578 2.185 . . . . 0.0 112.302 -177.723 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1942 ' ' SER . . . . . . . . . . . . . 14.8 m -86.26 -10.2 55.03 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.056 -178.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1943 ' ' ASP . . . . . . . . . . . . . 12.9 t70 -84.63 110.31 18.64 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 179.162 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1944 ' ' VAL . . . . . 0.552 ' O ' ' HG2' ' A' 1948 ' ' LYS . 12.0 p -75.64 -32.71 25.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.244 -174.075 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1945 ' ' TYR . . . . . . . . . . . . . 69.4 m-85 -71.99 -36.4 69.76 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.666 0.269 . . . . 0.0 111.147 -174.86 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1946 ' ' THR . . . . . 0.499 HG22 ' HB2' ' A' 1937 ' ' LEU . 95.7 m -60.62 -39.29 87.68 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.136 0.493 . . . . 0.0 109.793 172.789 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1947 ' ' LYS . . . . . . . . . . . . . 31.7 ttpt -68.34 -42.55 79.12 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.381 -0.827 . . . . 0.0 110.525 179.272 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1948 ' ' LYS . . . . . 0.552 ' HG2' ' O ' ' A' 1944 ' ' VAL . 9.0 mmpt? -53.93 -54.28 41.05 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.732 -179.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1949 ' ' GLU . . . . . . . . . . . . . 35.9 mm-40 -65.27 -25.57 67.71 Favored 'General case' 0 C--O 1.221 -0.4 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.796 -179.007 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1950 ' ' LEU . . . . . 0.64 HD11 HD22 ' A' 1882 ' ' LEU . 7.1 tt -65.48 -50.81 63.92 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 177.022 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1951 ' ' ILE . . . . . 0.844 HG13 ' HB ' ' A' 1872 ' ' VAL . 1.8 mp -61.95 -48.86 86.6 Favored 'Isoleucine or valine' 0 C--O 1.236 0.345 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.088 177.095 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1952 ' ' GLU . . . . . 0.581 ' O ' ' HG3' ' A' 1956 ' ' ARG . 30.4 mm-40 -59.39 -45.98 89.94 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.48 -179.577 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1953 ' ' CYS . . . . . 0.438 ' HA ' ' HD2' ' A' 1956 ' ' ARG . 25.4 t -61.25 -39.61 91.0 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.479 0.181 . . . . 0.0 111.061 -177.343 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1954 ' ' ALA . . . . . 0.406 ' HB1' ' HB ' ' A' 1868 ' ' VAL . . . -64.87 -41.98 95.22 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.803 0.335 . . . . 0.0 111.193 -179.302 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1955 ' ' ARG . . . . . 0.53 ' HG3' ' O ' ' A' 1952 ' ' GLU . 0.0 OUTLIER -73.69 -23.38 59.8 Favored 'General case' 0 C--N 1.325 -0.471 0 C-N-CA 120.757 -0.377 . . . . 0.0 110.382 178.278 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A 1956 ' ' ARG . . . . . 0.581 ' HG3' ' O ' ' A' 1952 ' ' GLU . 84.0 mtt180 -70.3 -46.9 63.36 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.903 0.383 . . . . 0.0 110.382 174.49 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1957 ' ' VAL . . . . . 0.451 ' O ' HG13 ' A' 1961 ' ' VAL . 21.1 m -78.19 -25.98 14.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 N-CA-C 111.865 0.32 . . . . 0.0 111.865 -176.666 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1958 ' ' SER . . . . . 0.525 ' O ' HG22 ' A' 1961 ' ' VAL . 8.3 p -66.41 -28.41 68.6 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 120.996 -0.282 . . . . 0.0 110.82 179.708 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1959 ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -65.93 -38.55 88.95 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 171.16 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1960 ' ' LYS . . . . . 1.02 ' HD3' ' HB3' ' A' 1922 ' ' GLU . 66.4 mttm -70.36 -37.1 74.55 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.17 -176.168 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1961 ' ' VAL . . . . . 0.704 HG21 ' HB2' ' A' 1865 ' ' ALA . 2.7 m -66.1 -31.59 54.35 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.192 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 175.356 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1962 ' ' SER . . . . . 0.638 ' HA ' HD12 ' A' 1965 ' ' LEU . 49.3 m -71.32 -24.85 62.2 Favored 'General case' 0 N--CA 1.451 -0.408 0 CA-C-N 115.458 -0.792 . . . . 0.0 110.138 177.85 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1963 ' ' HIS . . . . . . . . . . . . . 33.2 m170 -77.69 -31.41 52.42 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.845 -0.616 . . . . 0.0 109.988 177.797 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1964 ' ' VAL . . . . . 0.538 HG11 HD11 ' A' 1896 ' ' LEU . 72.6 t -59.26 -50.1 81.05 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.205 0 N-CA-C 108.791 -0.818 . . . . 0.0 108.791 171.753 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1965 ' ' LEU . . . . . 0.638 HD12 ' HA ' ' A' 1962 ' ' SER . 37.2 mt -49.69 -47.38 50.34 Favored 'General case' 0 CA--C 1.532 0.261 0 CA-C-N 115.48 -0.782 . . . . 0.0 111.092 179.261 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1966 ' ' ALA . . . . . . . . . . . . . . . -64.75 -34.48 78.42 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.71 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1967 ' ' ALA . . . . . . . . . . . . . . . -64.68 -43.47 93.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.508 -0.314 . . . . 0.0 111.352 -178.805 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1968 ' ' LEU . . . . . 1.014 ' HB3' ' HG3' ' A' 1854 ' ' GLN . 2.7 mm? -65.54 -39.12 91.38 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-O 121.169 0.509 . . . . 0.0 110.568 178.677 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1969 ' ' GLN . . . . . . . . . . . . . 72.1 mt-30 -82.27 10.69 6.46 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.033 -176.914 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1970 ' ' ALA . . . . . . . . . . . . . . . -101.27 121.44 41.88 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.753 179.446 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1971 ' ' GLY . . . . . . . . . . . . . . . -115.56 -36.11 1.22 Allowed Glycine 0 N--CA 1.447 -0.601 0 N-CA-C 110.561 -1.016 . . . . 0.0 110.561 172.211 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1972 ' ' ASN . . . . . . . . . . . . . 25.4 t-20 -158.73 -36.61 0.06 Allowed 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 114.739 -0.731 . . . . 0.0 109.049 176.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1973 ' ' ARG . . . . . . . . . . . . . 36.4 mmt180 . . . . . 0 C--O 1.249 1.069 0 CA-C-O 118.301 -0.857 . . . . 0.0 109.761 177.502 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A 1837 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.64 0 N-CA-C 112.257 -0.337 . . . . 0.0 112.257 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A 1838 ' ' ILE . . . . . . . . . . . . . 14.0 tt -142.28 153.38 18.24 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 N-CA-C 109.9 -0.407 . . . . 0.0 109.9 -179.561 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1839 ' ' ASP . . . . . 0.433 ' HB3' ' HD2' ' A' 1841 ' ' PHE . 41.6 m-20 -64.73 135.17 96.27 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-O 120.74 0.305 . . . . 0.0 110.794 -179.624 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1840 ' ' PRO . . . . . 0.723 ' HA ' ' SD ' ' A' 1843 ' ' MET . 74.1 Cg_endo -75.11 20.13 0.48 Allowed 'Trans proline' 0 C--O 1.233 0.265 0 C-N-CA 123.058 2.505 . . . . 0.0 113.544 -175.347 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1841 ' ' PHE . . . . . 0.433 ' HD2' ' HB3' ' A' 1839 ' ' ASP . 85.8 m-85 -83.56 -19.64 35.24 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.909 0.385 . . . . 0.0 110.772 -179.776 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1842 ' ' THR . . . . . . . . . . . . . 18.2 p -89.87 -5.93 56.33 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.002 178.643 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1843 ' ' MET . . . . . 0.723 ' SD ' ' HA ' ' A' 1840 ' ' PRO . 1.0 OUTLIER -78.9 -59.67 2.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.04 -179.012 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A 1844 ' ' GLY . . . . . . . . . . . . . . . -75.46 90.71 0.84 Allowed Glycine 0 N--CA 1.447 -0.614 0 C-N-CA 120.667 -0.777 . . . . 0.0 111.746 -179.388 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1845 ' ' ASP . . . . . . . . . . . . . 20.1 m-20 -66.79 114.55 18.25 Favored Pre-proline 0 C--N 1.327 -0.383 0 CA-C-O 120.801 0.334 . . . . 0.0 110.747 -179.403 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1846 ' ' PRO . . . . . . . . . . . . . 96.6 Cg_endo -91.63 -12.09 2.14 Favored 'Trans proline' 0 N--CA 1.451 -0.973 0 C-N-CA 122.732 2.288 . . . . 0.0 112.439 178.633 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1847 ' ' GLU . . . . . 0.514 ' HB3' ' HG2' ' A' 1908 ' ' GLU . 8.4 pt-20 31.16 76.79 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.363 0 O-C-N 124.667 1.23 . . . . 0.0 112.02 -172.637 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1848 ' ' GLY . . . . . . . . . . . . . . . 79.92 -141.79 23.76 Favored Glycine 0 N--CA 1.445 -0.753 0 CA-C-N 114.941 -1.027 . . . . 0.0 111.034 -175.033 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1849 ' ' SER . . . . . . . . . . . . . 3.3 p -103.13 23.65 12.04 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-O 121.512 0.672 . . . . 0.0 109.832 174.891 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1850 ' ' PHE . . . . . 0.415 ' HE1' HD11 ' A' 1916 ' ' ILE . 86.3 t80 -54.79 -30.11 56.09 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 114.736 -1.12 . . . . 0.0 111.576 -178.502 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1851 ' ' VAL . . . . . . . . . . . . . 35.2 m -54.9 -36.54 38.12 Favored 'Isoleucine or valine' 0 C--O 1.235 0.304 0 N-CA-C 112.227 0.454 . . . . 0.0 112.227 -178.346 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1852 ' ' ASP . . . . . . . . . . . . . 36.1 t70 -79.54 -47.94 14.69 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.839 0.352 . . . . 0.0 110.547 -177.214 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1853 ' ' TYR . . . . . 0.586 ' O ' ' HG2' ' A' 1857 ' ' MET . 56.1 m-85 -61.68 -39.89 93.04 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.353 -179.599 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1854 ' ' GLN . . . . . 0.81 ' HG3' ' HB3' ' A' 1968 ' ' LEU . 26.9 tt0 -53.39 -51.6 62.02 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.558 174.419 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1855 ' ' THR . . . . . 0.647 ' O ' ' HG2' ' A' 1859 ' ' ARG . 40.4 m -68.31 -36.87 79.96 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.732 -0.667 . . . . 0.0 112.042 -174.642 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1856 ' ' THR . . . . . 0.476 HG22 ' HA ' ' A' 1853 ' ' TYR . 13.8 t -72.42 -45.45 59.59 Favored 'General case' 0 CA--C 1.538 0.495 0 N-CA-C 112.248 0.462 . . . . 0.0 112.248 -173.35 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1857 ' ' MET . . . . . 0.586 ' HG2' ' O ' ' A' 1853 ' ' TYR . 11.5 ptm -79.01 -21.47 46.92 Favored 'General case' 0 C--N 1.33 -0.254 0 O-C-N 122.068 -0.395 . . . . 0.0 112.031 -172.485 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1858 ' ' VAL . . . . . 0.482 HG13 ' O ' ' A' 1854 ' ' GLN . 26.4 m -69.51 -29.28 41.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 C-N-CA 119.864 -0.734 . . . . 0.0 109.61 174.105 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1859 ' ' ARG . . . . . 0.647 ' HG2' ' O ' ' A' 1855 ' ' THR . 15.9 mmt180 -71.32 -41.49 69.79 Favored 'General case' 0 C--O 1.233 0.188 0 N-CA-C 109.491 -0.559 . . . . 0.0 109.491 176.475 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1860 ' ' THR . . . . . . . . . . . . . 3.6 m -61.41 -42.73 99.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.458 -0.792 . . . . 0.0 110.798 179.787 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1861 ' ' ALA . . . . . 0.462 ' HB1' ' HB ' ' A' 1961 ' ' VAL . . . -57.78 -39.24 77.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.13 179.773 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1862 ' ' LYS . . . . . . . . . . . . . 51.1 mttm -66.83 -37.38 84.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.675 179.583 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1863 ' ' ALA . . . . . . . . . . . . . . . -72.44 -34.81 68.06 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.536 179.784 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1864 ' ' ILE . . . . . 0.597 ' O ' HG13 ' A' 1868 ' ' VAL . 68.6 mt -65.33 -46.31 90.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.105 174.355 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1865 ' ' ALA . . . . . 0.834 ' HB2' HG21 ' A' 1961 ' ' VAL . . . -57.7 -51.35 69.89 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.681 -179.017 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1866 ' ' VAL . . . . . 0.484 ' O ' ' HG3' ' A' 1870 ' ' GLU . 11.7 p -61.4 -31.24 49.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 C-N-CA 120.866 -0.334 . . . . 0.0 110.739 -179.751 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1867 ' ' THR . . . . . 0.67 ' O ' ' HG3' ' A' 1871 ' ' MET . 96.2 m -66.25 -52.33 48.71 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.625 -0.261 . . . . 0.0 110.875 177.62 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1868 ' ' VAL . . . . . 0.597 HG13 ' O ' ' A' 1864 ' ' ILE . 2.5 m -63.36 -30.67 50.36 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.331 0 CA-C-O 121.75 0.786 . . . . 0.0 110.069 -178.786 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1869 ' ' GLN . . . . . . . . . . . . . 44.9 tp60 -75.56 -28.33 58.96 Favored 'General case' 0 N--CA 1.429 -1.489 0 CA-C-N 114.788 -1.096 . . . . 0.0 110.231 -179.87 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1870 ' ' GLU . . . . . 0.484 ' HG3' ' O ' ' A' 1866 ' ' VAL . 48.3 mt-10 -72.29 -41.71 66.33 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 109.954 -0.387 . . . . 0.0 109.954 170.929 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1871 ' ' MET . . . . . 0.67 ' HG3' ' O ' ' A' 1867 ' ' THR . 46.1 mtp -57.7 -42.99 84.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.261 -176.769 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1872 ' ' VAL . . . . . 0.434 HG12 ' HA ' ' A' 1951 ' ' ILE . 27.0 m -73.13 -29.31 28.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.792 0.329 . . . . 0.0 111.624 178.911 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1873 ' ' THR . . . . . . . . . . . . . 95.7 m -76.71 -41.29 45.75 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.056 0.455 . . . . 0.0 110.914 179.866 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1874 ' ' LYS . . . . . 0.66 ' HD2' ' HG3' ' A' 1881 ' ' GLU . 70.4 mmtt -70.57 -43.41 69.5 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.108 -178.852 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1875 ' ' SER . . . . . 0.472 ' HB2' ' HG3' ' A' 1947 ' ' LYS . 12.4 p -57.12 -20.63 26.87 Favored 'General case' 0 N--CA 1.465 0.301 0 N-CA-C 113.107 0.781 . . . . 0.0 113.107 -171.878 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1876 ' ' ASN . . . . . . . . . . . . . 92.1 m-20 -61.0 -36.33 79.22 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.783 0.325 . . . . 0.0 111.274 179.148 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1877 ' ' THR . . . . . . . . . . . . . 37.0 p -129.05 -38.54 1.62 Allowed 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.063 0.459 . . . . 0.0 111.644 -177.611 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1878 ' ' SER . . . . . . . . . . . . . 50.2 m -112.8 104.68 55.97 Favored Pre-proline 0 C--N 1.322 -0.611 0 CA-C-N 115.837 -0.619 . . . . 0.0 111.764 -171.742 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1879 ' ' PRO . . . . . 1.025 ' HA ' HD12 ' A' 1882 ' ' LEU . 53.1 Cg_endo -90.03 -8.06 4.25 Favored 'Trans proline' 0 N--CA 1.442 -1.514 0 C-N-CA 121.971 1.781 . . . . 0.0 111.841 171.929 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1880 ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 -73.24 -32.37 64.68 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.6 177.353 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1881 ' ' GLU . . . . . 0.66 ' HG3' ' HD2' ' A' 1874 ' ' LYS . 9.6 mm-40 -70.46 -14.6 62.6 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.542 -178.7 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1882 ' ' LEU . . . . . 1.025 HD12 ' HA ' ' A' 1879 ' ' PRO . 1.7 mt -84.69 -4.33 58.97 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.468 -0.787 . . . . 0.0 112.722 -169.571 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1883 ' ' GLY . . . . . . . . . . . . . . . -76.06 -60.77 3.02 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.438 -0.886 . . . . 0.0 111.269 174.196 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1884 ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -55.5 -42.3 69.29 Favored 'Trans proline' 0 C--N 1.349 0.576 0 C-N-CA 122.751 2.3 . . . . 0.0 112.18 175.427 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1885 ' ' LEU . . . . . 0.523 ' HB3' ' HG2' ' A' 1871 ' ' MET . 43.1 mt -60.4 -40.22 90.18 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.813 -178.447 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1886 ' ' ALA . . . . . . . . . . . . . . . -65.74 -45.22 83.42 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.981 0.42 . . . . 0.0 110.67 179.767 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1887 ' ' ASN . . . . . . . . . . . . . 92.9 m-20 -65.56 -35.19 80.13 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.077 0.465 . . . . 0.0 110.304 177.205 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1888 ' ' GLN . . . . . . . . . . . . . 33.5 tp60 -64.85 -49.58 70.02 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.58 -0.737 . . . . 0.0 110.792 179.57 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1889 ' ' LEU . . . . . 0.475 HD12 ' SD ' ' A' 1871 ' ' MET . 0.8 OUTLIER -57.94 -45.25 86.88 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 109.546 -0.538 . . . . 0.0 109.546 177.441 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A 1890 ' ' THR . . . . . . . . . . . . . 87.7 m -59.67 -44.58 93.55 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.612 -0.722 . . . . 0.0 111.386 179.423 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1891 ' ' SER . . . . . . . . . . . . . 21.0 t -68.44 -45.87 71.36 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.844 -178.551 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1892 ' ' ASP . . . . . 0.512 ' HB3' HG12 ' A' 1864 ' ' ILE . 0.1 OUTLIER -65.95 -40.14 91.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.525 -0.307 . . . . 0.0 110.93 -177.79 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A 1893 ' ' TYR . . . . . . . . . . . . . 27.4 t80 -60.09 -43.9 95.18 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.626 0.251 . . . . 0.0 110.699 176.031 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1894 ' ' GLY . . . . . . . . . . . . . . . -58.01 -36.54 81.62 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.849 -0.691 . . . . 0.0 111.763 179.104 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1895 ' ' ARG . . . . . . . . . . . . . 41.6 ttm105 -69.18 -46.91 66.34 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.001 0.429 . . . . 0.0 110.141 176.897 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1896 ' ' LEU . . . . . 0.51 HD12 ' HB2' ' A' 1857 ' ' MET . 57.8 tp -57.76 -47.33 82.82 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.986 179.307 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1897 ' ' ALA . . . . . . . . . . . . . . . -64.69 -24.06 67.45 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.328 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1898 ' ' SER . . . . . . . . . . . . . 35.0 t -79.46 -21.16 45.81 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.585 0.707 . . . . 0.0 109.547 -177.29 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1899 ' ' GLN . . . . . 0.423 HE21 ' HB2' ' A' 1899 ' ' GLN . 10.6 mt-30 -95.36 -16.78 22.11 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.106 -0.952 . . . . 0.0 110.483 -177.887 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1900 ' ' ALA . . . . . . . . . . . . . . . -74.5 -31.21 62.1 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.767 -0.652 . . . . 0.0 110.643 176.665 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1901 ' ' LYS . . . . . 0.673 ' HB3' ' HD3' ' A' 1902 ' ' PRO . 24.1 tptm -59.24 -57.71 24.97 Favored Pre-proline 0 CA--C 1.54 0.571 0 CA-C-N 115.355 -0.838 . . . . 0.0 112.107 -177.581 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1902 ' ' PRO . . . . . 0.673 ' HD3' ' HB3' ' A' 1901 ' ' LYS . 4.9 Cg_exo -77.7 -20.21 12.2 Favored 'Trans proline' 0 C--N 1.353 0.806 0 C-N-CA 121.891 1.727 . . . . 0.0 112.362 -176.508 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1903 ' ' ALA . . . . . . . . . . . . . . . -72.08 -36.59 69.56 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.871 0.367 . . . . 0.0 110.623 179.803 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1904 ' ' ALA . . . . . . . . . . . . . . . -72.77 -32.69 65.81 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.739 -176.47 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1905 ' ' VAL . . . . . 0.436 HG22 ' HA ' ' A' 1902 ' ' PRO . 34.7 m -85.23 -26.92 6.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 115.923 -0.58 . . . . 0.0 111.244 -179.163 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1906 ' ' ALA . . . . . . . . . . . . . . . -74.3 -45.96 44.23 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.558 0.218 . . . . 0.0 110.79 179.094 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1907 ' ' ALA . . . . . . . . . . . . . . . -57.36 137.8 55.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.304 -179.294 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1908 ' ' GLU . . . . . 0.514 ' HG2' ' HB3' ' A' 1847 ' ' GLU . 9.3 pt-20 -93.61 -12.4 29.55 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.158 0.504 . . . . 0.0 110.486 -179.353 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1909 ' ' ASN . . . . . . . . . . . . . 42.6 m-80 -86.02 130.98 34.37 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.352 177.837 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1910 ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -56.23 -50.87 70.04 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.845 178.719 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1911 ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -63.82 -39.8 95.08 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.48 -0.782 . . . . 0.0 111.966 -173.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1912 ' ' ILE . . . . . 0.543 ' O ' HG13 ' A' 1916 ' ' ILE . 53.8 mt -59.24 -53.68 44.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 C-N-CA 120.66 -0.416 . . . . 0.0 110.275 -179.861 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1913 ' ' GLY . . . . . . . . . . . . . . . -59.72 -32.36 73.97 Favored Glycine 0 C--N 1.33 0.239 0 C-N-CA 120.973 -0.632 . . . . 0.0 112.425 -179.885 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1914 ' ' ALA . . . . . . . . . . . . . . . -74.81 -46.26 37.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.656 0.265 . . . . 0.0 110.738 179.613 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1915 ' ' HIS . . . . . 0.659 ' O ' ' HG2' ' A' 1919 ' ' ARG . 67.8 m-70 -63.03 -45.16 93.59 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.332 -177.586 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1916 ' ' ILE . . . . . 0.543 HG13 ' O ' ' A' 1912 ' ' ILE . 98.9 mt -50.96 -56.37 4.82 Favored 'Isoleucine or valine' 0 C--O 1.234 0.245 0 CA-C-O 121.133 0.492 . . . . 0.0 111.375 -178.772 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1917 ' ' LYS . . . . . 0.474 ' HA ' HG22 ' A' 1920 ' ' VAL . 56.8 mtmt -73.8 -24.82 59.87 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.316 -177.336 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1918 ' ' HIS . . . . . 0.484 ' O ' ' HB3' ' A' 1921 ' ' GLN . 8.3 t-80 -69.37 -31.65 70.18 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.951 0.405 . . . . 0.0 110.227 178.895 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1919 ' ' ARG . . . . . 0.659 ' HG2' ' O ' ' A' 1915 ' ' HIS . 24.6 mmt180 -75.68 -49.16 19.16 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.675 -178.225 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1920 ' ' VAL . . . . . 0.474 HG22 ' HA ' ' A' 1917 ' ' LYS . 32.7 m -66.63 -24.21 32.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 121.094 0.474 . . . . 0.0 110.208 178.269 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1921 ' ' GLN . . . . . 0.484 ' HB3' ' O ' ' A' 1918 ' ' HIS . 40.1 tt0 -54.24 -53.73 49.63 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.894 175.638 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1922 ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -75.41 -32.62 60.81 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.196 -177.367 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1923 ' ' LEU . . . . . 0.401 ' HG ' ' HB3' ' A' 1960 ' ' LYS . 30.9 mt -61.84 -30.51 70.89 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.261 178.051 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1924 ' ' GLY . . . . . . . . . . . . . . . -62.25 -41.6 99.72 Favored Glycine 0 N--CA 1.449 -0.456 0 C-N-CA 120.789 -0.72 . . . . 0.0 111.975 177.382 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1925 ' ' HIS . . . . . . . . . . . . . 23.5 m170 -70.46 -44.44 67.77 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.737 -0.468 . . . . 0.0 109.737 178.771 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1926 ' ' GLY . . . . . 0.442 ' O ' ' HB2' ' A' 1930 ' ' LEU . . . -62.67 -38.86 97.13 Favored Glycine 0 N--CA 1.447 -0.603 0 CA-C-N 115.748 -0.66 . . . . 0.0 112.195 179.621 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1927 ' ' CYS . . . . . . . . . . . . . 53.6 t -63.64 -52.61 60.06 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.541 0.21 . . . . 0.0 110.447 177.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1928 ' ' SER . . . . . . . . . . . . . 62.5 p -63.08 -34.39 77.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.043 -176.875 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1929 ' ' ALA . . . . . . . . . . . . . . . -72.8 -48.75 35.37 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.466 -0.333 . . . . 0.0 111.043 178.788 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1930 ' ' LEU . . . . . 0.448 ' HG ' ' HB3' ' A' 1953 ' ' CYS . 0.4 OUTLIER -61.47 -46.11 91.41 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.122 -175.28 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A 1931 ' ' VAL . . . . . . . . . . . . . 23.4 m -64.55 -28.91 45.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.851 0.358 . . . . 0.0 111.063 -177.594 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1932 ' ' THR . . . . . . . . . . . . . 30.9 m -76.05 -41.0 52.09 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.281 177.194 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1933 ' ' LYS . . . . . . . . . . . . . 75.1 mmtt -64.62 -37.34 87.24 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.026 0.441 . . . . 0.0 110.152 176.629 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1934 ' ' ALA . . . . . . . . . . . . . . . -61.63 -50.54 72.16 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.506 176.473 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1935 ' ' GLY . . . . . . . . . . . . . . . -65.24 -33.45 86.85 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.881 -0.676 . . . . 0.0 112.319 178.584 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1936 ' ' ALA . . . . . . . . . . . . . . . -65.44 -48.25 73.37 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.758 0.313 . . . . 0.0 110.664 177.719 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1937 ' ' LEU . . . . . 0.42 ' HB2' HG22 ' A' 1946 ' ' THR . 24.4 tp -66.99 -31.98 72.92 Favored 'General case' 0 CA--C 1.513 -0.464 0 CA-C-O 121.148 0.499 . . . . 0.0 110.407 178.77 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1938 ' ' GLN . . . . . 0.53 ' HA ' ' HB2' ' A' 1879 ' ' PRO . 37.6 tt0 -68.37 -26.91 65.81 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.142 178.928 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1939 ' ' CYS . . . . . . . . . . . . . 42.2 t -82.97 -35.61 25.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.364 176.105 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1940 ' ' SER . . . . . . . . . . . . . 74.9 m -128.27 83.28 66.58 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.916 177.313 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1941 ' ' PRO . . . . . 0.659 ' HB3' ' HG3' ' A' 1879 ' ' PRO . 51.7 Cg_endo -70.56 -21.35 29.91 Favored 'Trans proline' 0 C--N 1.343 0.288 0 C-N-CA 122.522 2.148 . . . . 0.0 112.691 -175.918 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1942 ' ' SER . . . . . . . . . . . . . 32.2 m -85.04 -1.82 57.27 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.335 -177.021 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1943 ' ' ASP . . . . . . . . . . . . . 23.5 t70 -94.93 111.59 23.37 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.895 0.379 . . . . 0.0 110.263 179.428 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1944 ' ' VAL . . . . . . . . . . . . . 9.8 p -75.68 -28.61 19.71 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.716 -176.671 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1945 ' ' TYR . . . . . 0.454 ' O ' ' HG3' ' A' 1949 ' ' GLU . 66.5 m-85 -64.88 -43.2 93.69 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.735 -177.24 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1946 ' ' THR . . . . . 0.42 HG22 ' HB2' ' A' 1937 ' ' LEU . 85.5 m -59.06 -41.01 86.92 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.405 174.838 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1947 ' ' LYS . . . . . 0.472 ' HG3' ' HB2' ' A' 1875 ' ' SER . 11.7 ttpp -67.41 -37.93 83.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.163 179.477 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1948 ' ' LYS . . . . . 0.489 ' HE2' ' HA ' ' A' 1948 ' ' LYS . 7.6 mmpt? -58.2 -49.81 75.75 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.434 178.816 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1949 ' ' GLU . . . . . 0.454 ' HG3' ' O ' ' A' 1945 ' ' TYR . 37.5 mt-10 -65.5 -28.13 68.97 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.039 -178.022 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1950 ' ' LEU . . . . . 0.456 HD11 HD22 ' A' 1882 ' ' LEU . 7.7 tt -63.45 -47.48 81.65 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.007 -0.738 . . . . 0.0 109.007 174.723 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1951 ' ' ILE . . . . . 0.462 ' O ' ' HG2' ' A' 1955 ' ' ARG . 1.7 mp -63.41 -44.71 99.04 Favored 'Isoleucine or valine' 0 C--O 1.235 0.314 0 CA-C-N 115.615 -0.721 . . . . 0.0 110.289 176.384 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1952 ' ' GLU . . . . . 0.435 ' O ' ' HG3' ' A' 1956 ' ' ARG . 35.7 mm-40 -55.61 -39.81 71.26 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.264 178.49 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1953 ' ' CYS . . . . . 0.448 ' HB3' ' HG ' ' A' 1930 ' ' LEU . 11.7 t -74.53 -42.63 58.53 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 116.513 -0.312 . . . . 0.0 110.775 -177.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1954 ' ' ALA . . . . . . . . . . . . . . . -64.58 -41.49 96.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.516 -0.311 . . . . 0.0 111.677 -176.821 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1955 ' ' ARG . . . . . 0.462 ' HG2' ' O ' ' A' 1951 ' ' ILE . 9.9 ptp180 -66.96 -24.6 66.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.876 0.369 . . . . 0.0 110.629 179.113 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1956 ' ' ARG . . . . . 0.554 ' O ' ' HD3' ' A' 1960 ' ' LYS . 43.8 mtp180 -81.28 -30.03 34.14 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.667 179.708 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1957 ' ' VAL . . . . . 0.455 ' O ' HG13 ' A' 1961 ' ' VAL . 12.1 m -89.07 -30.95 5.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 C-N-CA 120.644 -0.422 . . . . 0.0 111.934 -178.187 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1958 ' ' SER . . . . . 0.612 ' O ' HG22 ' A' 1961 ' ' VAL . 23.4 p -63.78 -24.03 67.6 Favored 'General case' 0 CA--C 1.531 0.213 0 CA-C-O 120.931 0.396 . . . . 0.0 111.47 -175.781 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1959 ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -77.87 -33.79 51.95 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.784 0.326 . . . . 0.0 110.802 174.422 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1960 ' ' LYS . . . . . 0.554 ' HD3' ' O ' ' A' 1956 ' ' ARG . 12.1 mptt -66.54 -31.39 72.07 Favored 'General case' 0 CA--C 1.516 -0.328 0 CA-C-N 116.554 -0.294 . . . . 0.0 110.691 -178.879 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1961 ' ' VAL . . . . . 0.834 HG21 ' HB2' ' A' 1865 ' ' ALA . 2.2 m -64.97 -37.26 79.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 116.209 -0.451 . . . . 0.0 109.833 -179.89 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1962 ' ' SER . . . . . 0.683 ' HA ' HD12 ' A' 1965 ' ' LEU . 14.3 m -73.0 -24.98 60.82 Favored 'General case' 0 N--CA 1.441 -0.907 0 CA-C-O 121.305 0.574 . . . . 0.0 110.154 176.521 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1963 ' ' HIS . . . . . 0.453 ' HB3' ' CD ' ' A' 1919 ' ' ARG . 64.5 m170 -72.21 -30.37 64.86 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.655 -0.702 . . . . 0.0 109.785 176.618 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1964 ' ' VAL . . . . . 0.433 ' O ' HD23 ' A' 1968 ' ' LEU . 90.7 t -65.38 -44.93 94.45 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.203 0 N-CA-C 108.921 -0.77 . . . . 0.0 108.921 172.558 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1965 ' ' LEU . . . . . 0.683 HD12 ' HA ' ' A' 1962 ' ' SER . 54.1 mt -53.87 -46.51 71.35 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.007 -0.997 . . . . 0.0 110.735 178.671 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1966 ' ' ALA . . . . . . . . . . . . . . . -75.98 -31.23 58.88 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.88 -178.286 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1967 ' ' ALA . . . . . . . . . . . . . . . -63.99 -46.43 84.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.009 0.433 . . . . 0.0 111.184 -179.75 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1968 ' ' LEU . . . . . 0.81 ' HB3' ' HG3' ' A' 1854 ' ' GLN . 4.1 mm? -71.75 -29.75 64.85 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.972 -179.454 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1969 ' ' GLN . . . . . . . . . . . . . 47.4 mt-30 -94.89 14.75 20.55 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.517 -0.31 . . . . 0.0 110.961 -179.085 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1970 ' ' ALA . . . . . 0.495 ' HB3' HG12 ' A' 1912 ' ' ILE . . . -70.67 -18.27 62.84 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.92 0.39 . . . . 0.0 111.05 -179.228 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1971 ' ' GLY . . . . . . . . . . . . . . . -75.31 -10.64 84.42 Favored Glycine 0 N--CA 1.449 -0.449 0 C-N-CA 120.734 -0.746 . . . . 0.0 111.657 176.322 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1972 ' ' ASN . . . . . . . . . . . . . 5.1 m-20 55.19 -107.47 0.38 Allowed 'General case' 0 C--O 1.233 0.229 0 C-N-CA 123.114 0.566 . . . . 0.0 111.296 -179.693 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1973 ' ' ARG . . . . . 0.416 ' C ' ' HE ' ' A' 1973 ' ' ARG . 0.0 OUTLIER . . . . . 0 C--O 1.244 0.801 0 CA-C-O 118.45 -0.786 . . . . 0.0 109.094 -179.695 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1837 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.8 0 N-CA-C 111.113 -0.795 . . . . 0.0 111.113 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A 1838 ' ' ILE . . . . . . . . . . . . . 56.0 mt -93.18 93.96 4.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 N-CA-C 108.383 -0.969 . . . . 0.0 108.383 170.645 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1839 ' ' ASP . . . . . . . . . . . . . 14.9 m-20 -110.22 126.43 28.96 Favored Pre-proline 0 C--N 1.318 -0.763 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.004 -172.247 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1840 ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -77.61 -18.27 13.73 Favored 'Trans proline' 0 N--CA 1.461 -0.433 0 C-N-CA 122.728 2.286 . . . . 0.0 112.44 179.076 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1841 ' ' PHE . . . . . . . . . . . . . 34.8 m-85 -108.21 170.0 8.28 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.295 0.569 . . . . 0.0 111.155 -175.526 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1842 ' ' THR . . . . . . . . . . . . . 60.4 p -115.1 -164.55 0.95 Allowed 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.313 -0.858 . . . . 0.0 109.582 177.432 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1843 ' ' MET . . . . . . . . . . . . . 46.2 ttm -78.23 79.85 4.67 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.581 0.705 . . . . 0.0 109.99 176.709 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1844 ' ' GLY . . . . . . . . . . . . . . . -152.66 48.63 0.54 Allowed Glycine 0 N--CA 1.447 -0.627 0 N-CA-C 109.501 -1.44 . . . . 0.0 109.501 177.7 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1845 ' ' ASP . . . . . 0.532 ' HB3' ' HD2' ' A' 1846 ' ' PRO . 9.9 m-20 -65.42 167.8 9.65 Favored Pre-proline 0 C--N 1.325 -0.46 0 CA-C-N 114.404 -0.898 . . . . 0.0 111.216 -172.74 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1846 ' ' PRO . . . . . 0.532 ' HD2' ' HB3' ' A' 1845 ' ' ASP . 83.7 Cg_exo -47.25 -31.56 12.72 Favored 'Trans proline' 0 C--N 1.351 0.702 0 C-N-CA 123.28 2.654 . . . . 0.0 113.159 178.49 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1847 ' ' GLU . . . . . 0.651 ' HB3' ' HG3' ' A' 1908 ' ' GLU . 1.2 pp20? -139.26 178.13 7.41 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.992 -0.374 . . . . 0.0 109.992 175.455 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1848 ' ' GLY . . . . . . . . . . . . . . . -146.72 28.93 1.59 Allowed Glycine 0 N--CA 1.45 -0.43 0 C-N-CA 120.499 -0.858 . . . . 0.0 111.949 179.467 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1849 ' ' SER . . . . . . . . . . . . . 30.7 m -141.39 -33.1 0.52 Allowed 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.185 0.517 . . . . 0.0 110.664 -176.861 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1850 ' ' PHE . . . . . 0.551 ' HZ ' HD11 ' A' 1916 ' ' ILE . 86.2 t80 -75.2 -21.39 58.72 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.453 -0.794 . . . . 0.0 110.109 -177.487 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1851 ' ' VAL . . . . . . . . . . . . . 28.1 m -48.88 -37.0 8.56 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.291 0 CA-C-N 115.426 -0.806 . . . . 0.0 112.421 179.796 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1852 ' ' ASP . . . . . . . . . . . . . 20.6 t70 -66.72 -43.87 83.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.138 0.495 . . . . 0.0 111.244 -176.791 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1853 ' ' TYR . . . . . 0.45 ' CE1' ' HB2' ' A' 1902 ' ' PRO . 51.4 m-85 -81.29 -23.67 37.76 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.33 -177.295 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1854 ' ' GLN . . . . . 0.914 ' HG3' ' HB3' ' A' 1968 ' ' LEU . 43.3 tt0 -68.5 -55.91 10.14 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.503 -0.772 . . . . 0.0 110.604 176.488 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1855 ' ' THR . . . . . 0.589 ' O ' ' HG2' ' A' 1859 ' ' ARG . 14.7 m -59.26 -40.68 86.76 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.993 -0.549 . . . . 0.0 112.31 -174.412 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1856 ' ' THR . . . . . 0.457 HG23 ' N ' ' A' 1857 ' ' MET . 6.2 t -62.33 -53.42 55.27 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 112.559 0.578 . . . . 0.0 112.559 -173.467 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1857 ' ' MET . . . . . 0.69 ' SD ' HD21 ' A' 1968 ' ' LEU . 7.2 ptp -77.85 -24.19 48.67 Favored 'General case' 0 C--N 1.327 -0.4 0 C-N-CA 120.415 -0.514 . . . . 0.0 111.972 -172.58 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1858 ' ' VAL . . . . . 0.413 ' O ' ' HG3' ' A' 1862 ' ' LYS . 23.3 m -69.87 -32.07 50.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 C-N-CA 119.546 -0.862 . . . . 0.0 109.251 174.736 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1859 ' ' ARG . . . . . 0.589 ' HG2' ' O ' ' A' 1855 ' ' THR . 30.5 mmt180 -70.23 -37.65 75.04 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-O 121.124 0.488 . . . . 0.0 109.691 174.322 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1860 ' ' THR . . . . . 0.495 ' HA ' HH21 ' A' 1895 ' ' ARG . 99.0 m -65.64 -44.26 86.96 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.504 -0.771 . . . . 0.0 111.069 176.781 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1861 ' ' ALA . . . . . 0.4 ' HB1' ' HB ' ' A' 1961 ' ' VAL . . . -59.5 -40.01 85.66 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.842 0.353 . . . . 0.0 110.929 179.297 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1862 ' ' LYS . . . . . 0.413 ' HG3' ' O ' ' A' 1858 ' ' VAL . 52.1 mttm -64.03 -41.03 97.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.428 177.133 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1863 ' ' ALA . . . . . . . . . . . . . . . -67.16 -36.46 81.86 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.773 178.88 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1864 ' ' ILE . . . . . 0.635 ' O ' HG13 ' A' 1868 ' ' VAL . 76.1 mt -65.17 -47.52 87.24 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-N 116.368 -0.378 . . . . 0.0 109.994 174.777 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1865 ' ' ALA . . . . . 0.833 ' HB2' HG21 ' A' 1961 ' ' VAL . . . -56.72 -42.13 78.65 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.019 -0.537 . . . . 0.0 112.119 -177.709 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1866 ' ' VAL . . . . . . . . . . . . . 12.6 p -71.96 -32.44 44.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 C-N-CA 120.565 -0.454 . . . . 0.0 110.587 179.717 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1867 ' ' THR . . . . . 0.401 ' O ' ' HG3' ' A' 1871 ' ' MET . 92.1 m -68.96 -46.69 67.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.558 -0.292 . . . . 0.0 111.133 179.585 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1868 ' ' VAL . . . . . 0.635 HG13 ' O ' ' A' 1864 ' ' ILE . 3.2 m -62.62 -30.26 48.85 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.311 0 CA-C-O 121.767 0.794 . . . . 0.0 109.646 178.733 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1869 ' ' GLN . . . . . . . . . . . . . 64.0 tp60 -78.32 -35.66 47.41 Favored 'General case' 0 N--CA 1.421 -1.912 0 CA-C-N 114.856 -1.066 . . . . 0.0 110.356 -177.884 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1870 ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -65.03 -36.04 83.12 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.97 -0.382 . . . . 0.0 109.97 173.165 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1871 ' ' MET . . . . . 0.404 ' SD ' HD12 ' A' 1889 ' ' LEU . 8.1 mtt -56.65 -51.25 69.44 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.03 177.697 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1872 ' ' VAL . . . . . 0.618 HG12 ' HA ' ' A' 1951 ' ' ILE . 33.2 m -72.36 -28.48 28.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 120.893 0.378 . . . . 0.0 111.532 -178.755 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1873 ' ' THR . . . . . . . . . . . . . 92.6 m -72.59 -47.13 50.49 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 120.995 0.426 . . . . 0.0 110.855 177.863 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1874 ' ' LYS . . . . . . . . . . . . . 71.5 mmtt -71.09 -37.27 72.42 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.75 -176.676 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1875 ' ' SER . . . . . 0.628 ' HB3' HD11 ' A' 1882 ' ' LEU . 12.0 p -57.32 -14.56 4.68 Favored 'General case' 0 N--CA 1.468 0.428 0 N-CA-C 112.594 0.59 . . . . 0.0 112.594 -175.123 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1876 ' ' ASN . . . . . . . . . . . . . 90.8 m-20 -61.76 -43.36 99.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.51 -0.313 . . . . 0.0 111.048 176.704 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1877 ' ' THR . . . . . . . . . . . . . 74.1 p -131.35 -5.13 3.8 Favored 'General case' 0 CA--C 1.532 0.28 0 N-CA-C 112.045 0.387 . . . . 0.0 112.045 -177.601 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1878 ' ' SER . . . . . . . . . . . . . 68.7 m -138.26 109.2 8.17 Favored Pre-proline 0 C--N 1.325 -0.488 0 N-CA-C 111.99 0.367 . . . . 0.0 111.99 -173.808 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1879 ' ' PRO . . . . . 0.98 ' HA ' HD12 ' A' 1882 ' ' LEU . 25.9 Cg_endo -95.86 -3.65 1.94 Allowed 'Trans proline' 0 N--CA 1.442 -1.555 0 C-N-CA 121.827 1.685 . . . . 0.0 111.399 168.038 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1880 ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -71.59 -50.85 27.06 Favored 'General case' 0 C--N 1.334 -0.07 0 CA-C-N 115.52 -0.764 . . . . 0.0 110.341 179.115 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1881 ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 -63.1 -14.63 50.69 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 115.315 -0.857 . . . . 0.0 111.051 -176.662 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1882 ' ' LEU . . . . . 0.98 HD12 ' HA ' ' A' 1879 ' ' PRO . 6.7 mt -75.26 -12.21 60.23 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.588 -0.733 . . . . 0.0 112.131 -175.378 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1883 ' ' GLY . . . . . . . . . . . . . . . -75.38 -61.33 3.01 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.353 -0.927 . . . . 0.0 111.702 175.173 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1884 ' ' PRO . . . . . . . . . . . . . 9.2 Cg_endo -55.48 -41.19 80.49 Favored 'Trans proline' 0 C--N 1.346 0.444 0 C-N-CA 122.975 2.45 . . . . 0.0 112.495 174.71 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1885 ' ' LEU . . . . . . . . . . . . . 66.3 mt -60.15 -36.88 78.54 Favored 'General case' 0 N--CA 1.464 0.225 0 CA-C-O 120.519 0.199 . . . . 0.0 111.206 179.752 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1886 ' ' ALA . . . . . 0.448 ' HB1' ' HB ' ' A' 1931 ' ' VAL . . . -64.36 -49.47 71.51 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.996 0.427 . . . . 0.0 110.29 178.004 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1887 ' ' ASN . . . . . . . . . . . . . 46.4 t30 -61.66 -39.71 92.34 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.259 178.099 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1888 ' ' GLN . . . . . . . . . . . . . 34.8 tp60 -61.12 -50.55 72.79 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.423 -0.808 . . . . 0.0 111.135 179.267 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1889 ' ' LEU . . . . . 0.569 HD11 HG12 ' A' 1868 ' ' VAL . 1.6 tt -57.98 -44.06 86.9 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.344 0.592 . . . . 0.0 109.493 178.105 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1890 ' ' THR . . . . . . . . . . . . . 60.7 m -61.03 -47.85 84.51 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.344 -0.843 . . . . 0.0 111.432 -179.159 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1891 ' ' SER . . . . . . . . . . . . . 20.5 t -64.5 -36.12 83.18 Favored 'General case' 0 C--O 1.236 0.388 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.961 -177.748 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1892 ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -72.78 -39.1 67.03 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.923 178.944 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1893 ' ' TYR . . . . . . . . . . . . . 45.7 t80 -60.24 -39.13 85.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.634 0.254 . . . . 0.0 110.596 175.818 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1894 ' ' GLY . . . . . . . . . . . . . . . -60.86 -32.12 78.4 Favored Glycine 0 CA--C 1.517 0.205 0 C-N-CA 120.854 -0.688 . . . . 0.0 112.006 176.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1895 ' ' ARG . . . . . 0.495 HH21 ' HA ' ' A' 1860 ' ' THR . 41.1 ttp-105 -78.36 -26.58 46.69 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.304 0.574 . . . . 0.0 110.167 178.106 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1896 ' ' LEU . . . . . 0.477 HD12 ' HB2' ' A' 1857 ' ' MET . 52.8 tp -73.17 -54.92 7.25 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.465 -0.789 . . . . 0.0 110.957 179.118 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1897 ' ' ALA . . . . . . . . . . . . . . . -65.73 -24.98 67.09 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.916 -0.584 . . . . 0.0 112.065 -174.767 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1898 ' ' SER . . . . . . . . . . . . . 8.8 p -80.42 -19.67 45.65 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.921 0.391 . . . . 0.0 110.849 -174.663 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1899 ' ' GLN . . . . . . . . . . . . . 79.9 mm-40 -89.86 -11.23 42.55 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.611 177.184 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1900 ' ' ALA . . . . . . . . . . . . . . . -71.51 -31.86 67.55 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.653 179.469 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1901 ' ' LYS . . . . . 0.472 ' HB3' ' HD3' ' A' 1902 ' ' PRO . 9.2 tmtm? -66.96 -56.46 13.65 Favored Pre-proline 0 CA--C 1.541 0.607 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.189 -178.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1902 ' ' PRO . . . . . 0.472 ' HD3' ' HB3' ' A' 1901 ' ' LYS . 53.0 Cg_endo -70.13 -18.79 35.06 Favored 'Trans proline' 0 C--N 1.354 0.82 0 C-N-CA 121.965 1.776 . . . . 0.0 112.688 179.399 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1903 ' ' ALA . . . . . . . . . . . . . . . -75.94 -35.38 59.73 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.914 0.388 . . . . 0.0 110.721 177.522 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1904 ' ' ALA . . . . . . . . . . . . . . . -70.41 -30.98 67.99 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.087 0.47 . . . . 0.0 110.558 -177.096 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1905 ' ' VAL . . . . . 0.43 HG22 ' HA ' ' A' 1902 ' ' PRO . 33.9 m -89.29 -7.63 10.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.601 -177.589 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1906 ' ' ALA . . . . . . . . . . . . . . . -113.03 12.02 19.13 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.058 0.456 . . . . 0.0 110.386 178.91 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1907 ' ' ALA . . . . . . . . . . . . . . . -84.94 125.51 32.73 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.882 -178.619 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1908 ' ' GLU . . . . . 0.651 ' HG3' ' HB3' ' A' 1847 ' ' GLU . 6.3 mm-40 -69.77 -35.5 74.96 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.5 179.414 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1909 ' ' ASN . . . . . 0.763 ' HB2' HG13 ' A' 1912 ' ' ILE . 2.3 m-20 -103.33 153.64 20.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.114 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1910 ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -62.09 -53.14 59.65 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.868 177.894 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1911 ' ' GLU . . . . . 0.476 ' HB3' ' CD2' ' A' 1915 ' ' HIS . 32.8 mt-10 -59.76 -36.19 76.13 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.444 -0.798 . . . . 0.0 111.969 -175.262 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1912 ' ' ILE . . . . . 0.763 HG13 ' HB2' ' A' 1909 ' ' ASN . 57.1 mt -55.98 -52.87 44.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 N-CA-C 110.307 -0.257 . . . . 0.0 110.307 -179.126 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1913 ' ' GLY . . . . . 0.423 ' O ' ' HD3' ' A' 1917 ' ' LYS . . . -67.81 -25.14 74.23 Favored Glycine 0 N--CA 1.449 -0.5 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.418 -178.774 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1914 ' ' ALA . . . . . . . . . . . . . . . -81.23 -50.94 8.96 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 122.769 -0.253 . . . . 0.0 111.306 -178.54 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1915 ' ' HIS . . . . . 0.62 ' O ' ' HG2' ' A' 1919 ' ' ARG . 72.5 m-70 -55.48 -44.19 76.26 Favored 'General case' 0 CA--C 1.519 -0.229 0 CA-C-N 116.515 -0.311 . . . . 0.0 111.433 -175.057 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1916 ' ' ILE . . . . . 0.551 HD11 ' HZ ' ' A' 1850 ' ' PHE . 81.8 mt -49.25 -54.58 5.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 121.372 0.606 . . . . 0.0 110.983 178.782 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1917 ' ' LYS . . . . . 0.446 ' HA ' HG22 ' A' 1920 ' ' VAL . 19.9 mtpp -68.95 -32.28 71.76 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.25 -0.886 . . . . 0.0 111.258 -175.5 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1918 ' ' HIS . . . . . . . . . . . . . 37.3 m80 -67.91 -35.16 77.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.987 0.422 . . . . 0.0 111.097 178.326 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1919 ' ' ARG . . . . . 0.803 ' HD3' ' HB3' ' A' 1963 ' ' HIS . 1.7 mmp_? -81.59 -40.76 22.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.636 -175.864 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1920 ' ' VAL . . . . . 0.446 HG22 ' HA ' ' A' 1917 ' ' LYS . 33.1 m -66.57 -26.79 38.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 C-N-CA 120.822 -0.351 . . . . 0.0 110.744 179.134 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1921 ' ' GLN . . . . . . . . . . . . . 26.3 tt0 -67.04 -44.07 81.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.058 0.456 . . . . 0.0 110.298 176.686 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1922 ' ' GLU . . . . . . . . . . . . . 24.7 tt0 -71.13 -35.44 71.73 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-N 115.944 -0.571 . . . . 0.0 109.634 -179.098 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1923 ' ' LEU . . . . . . . . . . . . . 11.5 mt -64.24 -44.91 90.35 Favored 'General case' 0 C--O 1.224 -0.272 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.715 174.286 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1924 ' ' GLY . . . . . . . . . . . . . . . -54.78 -44.34 80.77 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 121.29 -0.481 . . . . 0.0 112.87 -179.01 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1925 ' ' HIS . . . . . . . . . . . . . 27.5 m80 -63.89 -45.08 90.98 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.707 0.289 . . . . 0.0 110.608 178.043 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1926 ' ' GLY . . . . . 0.401 ' O ' ' HB2' ' A' 1930 ' ' LEU . . . -65.97 -42.6 94.69 Favored Glycine 0 N--CA 1.449 -0.454 0 C-N-CA 120.897 -0.668 . . . . 0.0 112.506 179.905 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1927 ' ' CYS . . . . . . . . . . . . . 72.8 m -62.9 -46.09 89.46 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.682 0.277 . . . . 0.0 110.706 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1928 ' ' SER . . . . . . . . . . . . . 18.2 m -65.49 -39.69 92.21 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.746 -178.376 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1929 ' ' ALA . . . . . . . . . . . . . . . -66.75 -40.62 88.35 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.882 0.372 . . . . 0.0 110.482 176.506 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1930 ' ' LEU . . . . . 0.401 ' HB2' ' O ' ' A' 1926 ' ' GLY . 0.4 OUTLIER -61.64 -51.4 68.62 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.698 -179.11 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A 1931 ' ' VAL . . . . . 0.448 ' HB ' ' HB1' ' A' 1886 ' ' ALA . 20.8 m -63.59 -27.58 43.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-O 120.702 0.287 . . . . 0.0 110.944 -178.07 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1932 ' ' THR . . . . . . . . . . . . . 57.6 m -69.87 -48.67 57.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.896 0.379 . . . . 0.0 110.114 175.899 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1933 ' ' LYS . . . . . . . . . . . . . 74.9 mmtt -66.69 -33.54 75.88 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.722 179.641 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1934 ' ' ALA . . . . . 0.528 ' HA ' HD12 ' A' 1950 ' ' LEU . . . -61.44 -48.68 80.03 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.585 176.89 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1935 ' ' GLY . . . . . . . . . . . . . . . -67.66 -31.58 76.49 Favored Glycine 0 N--CA 1.449 -0.47 0 C-N-CA 120.876 -0.678 . . . . 0.0 112.04 178.206 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1936 ' ' ALA . . . . . . . . . . . . . . . -68.36 -48.1 65.67 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.476 0.179 . . . . 0.0 110.765 177.66 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1937 ' ' LEU . . . . . 0.432 HD23 HD13 ' A' 1882 ' ' LEU . 24.3 tp -65.72 -33.99 77.16 Favored 'General case' 0 CA--C 1.515 -0.389 0 CA-C-O 121.214 0.531 . . . . 0.0 110.47 178.57 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1938 ' ' GLN . . . . . 0.569 ' HA ' ' HB2' ' A' 1879 ' ' PRO . 10.4 tt0 -58.88 -38.35 78.62 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.226 178.689 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1939 ' ' CYS . . . . . . . . . . . . . 48.3 t -83.07 -34.13 26.24 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.626 -0.715 . . . . 0.0 110.402 178.824 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1940 ' ' SER . . . . . . . . . . . . . 18.8 m -122.78 86.54 49.99 Favored Pre-proline 0 C--N 1.327 -0.397 0 CA-C-N 116.431 -0.349 . . . . 0.0 111.14 -178.649 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1941 ' ' PRO . . . . . . . . . . . . . 84.1 Cg_endo -83.8 -9.07 10.04 Favored 'Trans proline' 0 N--CA 1.463 -0.296 0 C-N-CA 122.704 2.269 . . . . 0.0 113.222 -176.441 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1942 ' ' SER . . . . . . . . . . . . . 36.6 m -94.87 -13.01 25.88 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.952 0.406 . . . . 0.0 110.548 -179.327 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1943 ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -79.9 99.33 7.52 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.019 -0.537 . . . . 0.0 109.936 175.809 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1944 ' ' VAL . . . . . 0.552 ' O ' ' HG2' ' A' 1948 ' ' LYS . 14.0 p -66.43 -33.1 61.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.344 -175.531 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1945 ' ' TYR . . . . . . . . . . . . . 90.3 m-85 -73.8 -31.0 63.04 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.543 0.211 . . . . 0.0 110.511 -178.687 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1946 ' ' THR . . . . . . . . . . . . . 79.7 m -61.84 -38.46 88.31 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.3 0.571 . . . . 0.0 109.504 173.193 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1947 ' ' LYS . . . . . . . . . . . . . 31.8 ttpt -69.85 -41.82 74.36 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.507 -0.77 . . . . 0.0 110.259 176.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1948 ' ' LYS . . . . . 0.577 ' HE2' ' HA ' ' A' 1948 ' ' LYS . 9.8 mmpt? -57.04 -46.01 82.73 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.657 -179.487 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1949 ' ' GLU . . . . . . . . . . . . . 19.4 mm-40 -55.51 -40.99 72.46 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.846 178.419 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1950 ' ' LEU . . . . . 0.702 HD11 HD22 ' A' 1882 ' ' LEU . 7.6 tt -63.39 -51.63 65.03 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.191 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1951 ' ' ILE . . . . . 0.618 ' HA ' HG12 ' A' 1872 ' ' VAL . 1.7 mp -61.91 -46.09 97.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.702 -178.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1952 ' ' GLU . . . . . . . . . . . . . 40.6 mm-40 -59.65 -40.44 87.72 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.322 178.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1953 ' ' CYS . . . . . 0.525 ' O ' HG13 ' A' 1957 ' ' VAL . 7.3 t -69.13 -44.77 71.7 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 116.56 -0.291 . . . . 0.0 110.599 -178.297 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1954 ' ' ALA . . . . . . . . . . . . . . . -64.36 -42.87 95.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.775 0.321 . . . . 0.0 111.69 -177.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1955 ' ' ARG . . . . . 0.45 HH11 ' HD3' ' A' 1955 ' ' ARG . 4.0 ptm180 -65.96 -35.54 80.88 Favored 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 121.056 -0.257 . . . . 0.0 111.059 -178.566 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1956 ' ' ARG . . . . . . . . . . . . . 18.7 ptp180 -80.9 -22.88 39.37 Favored 'General case' 0 C--O 1.225 -0.213 0 C-N-CA 120.714 -0.394 . . . . 0.0 111.443 -176.098 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1957 ' ' VAL . . . . . 0.525 HG13 ' O ' ' A' 1953 ' ' CYS . 12.9 m -85.42 -22.46 7.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 C-N-CA 120.372 -0.531 . . . . 0.0 110.69 174.814 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1958 ' ' SER . . . . . 0.682 ' O ' HG22 ' A' 1961 ' ' VAL . 29.6 t -62.16 -28.62 69.78 Favored 'General case' 0 CA--C 1.531 0.214 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.864 -178.675 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1959 ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -81.45 -26.36 35.37 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.893 0.378 . . . . 0.0 111.197 176.093 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1960 ' ' LYS . . . . . 0.49 ' HA ' ' ND1' ' A' 1963 ' ' HIS . 40.8 mttm -71.6 -27.69 63.29 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.554 -0.294 . . . . 0.0 110.584 -179.098 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1961 ' ' VAL . . . . . 0.833 HG21 ' HB2' ' A' 1865 ' ' ALA . 3.4 m -64.2 -33.79 64.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 N-CA-C 109.538 -0.542 . . . . 0.0 109.538 175.616 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1962 ' ' SER . . . . . 0.549 ' HA ' HD12 ' A' 1965 ' ' LEU . 32.8 t -75.74 -25.01 56.17 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-N 115.634 -0.712 . . . . 0.0 109.82 178.935 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1963 ' ' HIS . . . . . 0.803 ' HB3' ' HD3' ' A' 1919 ' ' ARG . 49.0 m170 -69.99 -29.48 66.58 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.05 178.263 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1964 ' ' VAL . . . . . 0.649 ' O ' HD23 ' A' 1968 ' ' LEU . 61.7 t -71.85 -45.22 66.07 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.183 0 N-CA-C 109.082 -0.71 . . . . 0.0 109.082 172.542 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1965 ' ' LEU . . . . . 0.549 HD12 ' HA ' ' A' 1962 ' ' SER . 82.0 mt -51.77 -45.93 63.94 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.848 -0.614 . . . . 0.0 111.299 179.871 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1966 ' ' ALA . . . . . . . . . . . . . . . -75.7 -28.15 58.5 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 112.033 0.383 . . . . 0.0 112.033 -177.616 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1967 ' ' ALA . . . . . . . . . . . . . . . -71.34 -36.87 71.69 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.828 0.347 . . . . 0.0 111.269 -178.327 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1968 ' ' LEU . . . . . 0.914 ' HB3' ' HG3' ' A' 1854 ' ' GLN . 3.9 mm? -79.86 -33.71 39.9 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.898 -177.595 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1969 ' ' GLN . . . . . . . . . . . . . 48.0 mt-30 -86.75 60.61 6.32 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.697 0.761 . . . . 0.0 109.65 -179.726 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1970 ' ' ALA . . . . . 0.459 ' HB3' HG12 ' A' 1912 ' ' ILE . . . -124.16 -174.52 3.02 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 114.663 -1.153 . . . . 0.0 110.526 179.335 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1971 ' ' GLY . . . . . . . . . . . . . . . 140.79 -73.83 0.38 Allowed Glycine 0 N--CA 1.449 -0.467 0 N-CA-C 111.181 -0.768 . . . . 0.0 111.181 179.794 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1972 ' ' ASN . . . . . . . . . . . . . 27.8 t-20 -101.06 -35.41 9.35 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 109.06 -0.719 . . . . 0.0 109.06 173.358 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1973 ' ' ARG . . . . . . . . . . . . . 38.0 ttt180 . . . . . 0 C--O 1.248 0.975 0 CA-C-N 115.097 -0.956 . . . . 0.0 109.538 177.212 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A 1837 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.687 0 N-CA-C 112.04 -0.424 . . . . 0.0 112.04 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A 1838 ' ' ILE . . . . . . . . . . . . . 75.9 mt 67.74 98.66 0.05 OUTLIER 'Isoleucine or valine' 0 C--O 1.235 0.301 0 CA-C-O 121.283 0.563 . . . . 0.0 111.015 -178.296 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1839 ' ' ASP . . . . . 0.48 ' OD2' ' HB2' ' A' 1841 ' ' PHE . 4.6 p-10 -122.79 146.57 48.51 Favored Pre-proline 0 C--N 1.323 -0.58 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.011 -179.82 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1840 ' ' PRO . . . . . . . . . . . . . 95.6 Cg_endo -87.78 15.93 2.02 Favored 'Trans proline' 0 N--CA 1.46 -0.466 0 C-N-CA 122.893 2.395 . . . . 0.0 113.431 -176.533 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1841 ' ' PHE . . . . . 0.48 ' HB2' ' OD2' ' A' 1839 ' ' ASP . 90.2 m-85 -85.8 66.73 9.77 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.125 0.488 . . . . 0.0 110.941 -179.372 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1842 ' ' THR . . . . . . . . . . . . . 40.0 p -119.2 1.35 11.33 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.854 -179.593 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1843 ' ' MET . . . . . . . . . . . . . 24.1 mmt -122.83 -171.39 2.28 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.378 -0.828 . . . . 0.0 109.901 178.537 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1844 ' ' GLY . . . . . . . . . . . . . . . 82.0 -103.18 2.33 Favored Glycine 0 N--CA 1.448 -0.536 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.063 -179.708 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1845 ' ' ASP . . . . . 0.434 ' HA ' ' HD3' ' A' 1846 ' ' PRO . 19.6 m-20 -103.11 133.91 20.08 Favored Pre-proline 0 C--N 1.322 -0.593 0 CA-C-O 120.695 0.284 . . . . 0.0 110.509 179.497 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1846 ' ' PRO . . . . . 0.434 ' HD3' ' HA ' ' A' 1845 ' ' ASP . 38.5 Cg_exo -58.41 -39.94 79.37 Favored 'Trans proline' 0 CA--C 1.529 0.273 0 C-N-CA 123.124 2.549 . . . . 0.0 112.86 179.868 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1847 ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -97.72 5.08 49.74 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.046 0.451 . . . . 0.0 110.628 178.081 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1848 ' ' GLY . . . . . . . . . . . . . . . 63.99 -136.59 40.74 Favored Glycine 0 N--CA 1.451 -0.365 0 CA-C-N 115.671 -0.695 . . . . 0.0 113.012 177.036 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1849 ' ' SER . . . . . . . . . . . . . 13.3 m -91.71 34.9 0.97 Allowed 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.843 0.354 . . . . 0.0 110.97 -177.149 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1850 ' ' PHE . . . . . . . . . . . . . 83.8 t80 -57.93 -26.83 62.76 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.19 -178.691 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1851 ' ' VAL . . . . . . . . . . . . . 7.2 m -62.73 -28.69 45.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-O 121.007 0.432 . . . . 0.0 111.179 -178.545 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1852 ' ' ASP . . . . . . . . . . . . . 18.5 t70 -80.48 -47.4 14.35 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.175 177.89 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1853 ' ' TYR . . . . . 0.562 ' HB3' ' HB2' ' A' 1903 ' ' ALA . 30.1 m-85 -61.12 -37.16 81.82 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.521 -0.763 . . . . 0.0 111.144 -178.609 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1854 ' ' GLN . . . . . 0.674 ' HG3' ' HB3' ' A' 1968 ' ' LEU . 32.3 tt0 -57.14 -59.99 4.26 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.78 176.761 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1855 ' ' THR . . . . . 0.445 ' O ' ' HG2' ' A' 1859 ' ' ARG . 85.2 m -67.28 -34.23 76.96 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.999 -0.546 . . . . 0.0 112.192 -174.891 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1856 ' ' THR . . . . . 0.479 HG22 ' O ' ' A' 1853 ' ' TYR . 5.0 t -64.98 -46.05 83.08 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 112.015 0.376 . . . . 0.0 112.015 -172.409 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1857 ' ' MET . . . . . 0.659 ' SD ' HD21 ' A' 1968 ' ' LEU . 4.9 ptp -81.99 -30.63 31.51 Favored 'General case' 0 C--N 1.331 -0.21 0 O-C-N 122.009 -0.432 . . . . 0.0 112.092 -175.876 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1858 ' ' VAL . . . . . 0.42 HG13 ' O ' ' A' 1854 ' ' GLN . 28.9 m -64.02 -29.79 48.27 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.105 0 C-N-CA 120.051 -0.66 . . . . 0.0 109.567 177.598 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1859 ' ' ARG . . . . . 0.445 ' HG2' ' O ' ' A' 1855 ' ' THR . 11.7 mmt85 -64.14 -45.37 88.8 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.391 173.352 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1860 ' ' THR . . . . . . . . . . . . . 3.9 m -67.65 -39.17 84.6 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.682 -179.594 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1861 ' ' ALA . . . . . 0.509 ' HB1' ' HB ' ' A' 1961 ' ' VAL . . . -58.66 -42.41 88.34 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.364 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1862 ' ' LYS . . . . . . . . . . . . . 39.6 mttm -63.6 -39.37 94.19 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.688 178.848 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1863 ' ' ALA . . . . . . . . . . . . . . . -66.29 -35.84 81.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.812 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1864 ' ' ILE . . . . . 0.605 ' O ' HG13 ' A' 1868 ' ' VAL . 73.8 mt -66.88 -45.68 86.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.069 175.439 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1865 ' ' ALA . . . . . 0.813 ' HB2' HG21 ' A' 1961 ' ' VAL . . . -58.2 -43.91 87.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.007 -0.542 . . . . 0.0 112.037 -177.94 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1866 ' ' VAL . . . . . . . . . . . . . 13.9 p -68.83 -33.42 59.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 C-N-CA 120.636 -0.426 . . . . 0.0 110.433 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1867 ' ' THR . . . . . 0.618 ' O ' ' HG3' ' A' 1871 ' ' MET . 96.7 m -62.76 -51.75 65.89 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.508 -0.314 . . . . 0.0 110.681 177.843 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1868 ' ' VAL . . . . . 0.605 HG13 ' O ' ' A' 1864 ' ' ILE . 2.5 m -62.41 -31.09 50.63 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.222 0 CA-C-O 121.508 0.671 . . . . 0.0 110.161 -178.817 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1869 ' ' GLN . . . . . . . . . . . . . 63.8 tp60 -74.14 -28.54 61.38 Favored 'General case' 0 N--CA 1.426 -1.67 0 CA-C-N 114.979 -1.009 . . . . 0.0 110.282 -178.451 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1870 ' ' GLU . . . . . 0.475 ' O ' ' HG2' ' A' 1874 ' ' LYS . 34.1 mt-10 -73.65 -47.44 39.94 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.078 172.029 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1871 ' ' MET . . . . . 0.618 ' HG3' ' O ' ' A' 1867 ' ' THR . 67.1 mtp -54.37 -46.51 73.03 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.568 -0.742 . . . . 0.0 111.315 -176.248 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1872 ' ' VAL . . . . . 0.511 ' HB ' HG13 ' A' 1951 ' ' ILE . 30.0 m -67.73 -32.81 58.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-O 120.831 0.348 . . . . 0.0 111.469 179.455 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1873 ' ' THR . . . . . . . . . . . . . 97.1 m -68.94 -39.12 79.75 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.324 0.583 . . . . 0.0 110.33 177.575 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1874 ' ' LYS . . . . . 0.475 ' HG2' ' O ' ' A' 1870 ' ' GLU . 67.6 mmtt -70.94 -38.48 72.87 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.54 -0.754 . . . . 0.0 111.307 -178.388 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1875 ' ' SER . . . . . . . . . . . . . 96.3 p -56.63 -20.79 22.99 Favored 'General case' 0 N--CA 1.465 0.295 0 N-CA-C 112.841 0.682 . . . . 0.0 112.841 -172.256 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1876 ' ' ASN . . . . . . . . . . . . . 88.6 m-20 -75.27 -19.71 59.55 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 111.769 0.285 . . . . 0.0 111.769 -177.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1877 ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -140.53 -37.55 0.45 Allowed 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 112.747 0.647 . . . . 0.0 112.747 -174.951 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1878 ' ' SER . . . . . . . . . . . . . 20.8 m -123.37 98.34 41.37 Favored Pre-proline 0 C--N 1.32 -0.697 0 CA-C-N 116.546 -0.297 . . . . 0.0 111.224 -174.805 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1879 ' ' PRO . . . . . 0.97 ' HA ' HD12 ' A' 1882 ' ' LEU . 53.7 Cg_endo -89.75 -14.56 2.39 Favored 'Trans proline' 0 N--CA 1.446 -1.316 0 C-N-CA 121.708 1.605 . . . . 0.0 112.933 178.509 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1880 ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -78.75 -42.25 28.57 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 112.042 0.386 . . . . 0.0 112.042 -175.949 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1881 ' ' GLU . . . . . 0.442 ' CD ' ' HD2' ' A' 1874 ' ' LYS . 15.3 pt-20 -72.14 -11.57 60.8 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.418 0.628 . . . . 0.0 110.331 -179.056 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1882 ' ' LEU . . . . . 0.97 HD12 ' HA ' ' A' 1879 ' ' PRO . 0.6 OUTLIER -63.32 -20.57 65.61 Favored 'General case' 0 N--CA 1.449 -0.489 0 CA-C-N 115.377 -0.829 . . . . 0.0 111.826 176.488 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A 1883 ' ' GLY . . . . . . . . . . . . . . . -62.64 -60.87 7.13 Favored Glycine 0 CA--C 1.518 0.258 0 C-N-CA 120.561 -0.828 . . . . 0.0 111.798 176.469 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1884 ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -51.3 -40.31 61.59 Favored 'Trans proline' 0 C--N 1.346 0.425 0 C-N-CA 122.722 2.281 . . . . 0.0 112.412 172.702 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1885 ' ' LEU . . . . . 0.544 ' HB3' ' HG2' ' A' 1871 ' ' MET . 57.1 mt -63.53 -39.61 94.87 Favored 'General case' 0 C--O 1.231 0.117 0 CA-C-N 116.506 -0.316 . . . . 0.0 111.164 179.315 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1886 ' ' ALA . . . . . . . . . . . . . . . -63.74 -44.37 93.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.969 0.414 . . . . 0.0 110.38 177.101 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1887 ' ' ASN . . . . . . . . . . . . . 88.0 m-20 -62.03 -38.88 90.36 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.938 -0.574 . . . . 0.0 109.886 176.683 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1888 ' ' GLN . . . . . . . . . . . . . 31.3 tp60 -61.59 -46.49 89.63 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.581 -0.736 . . . . 0.0 111.125 179.695 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1889 ' ' LEU . . . . . 0.482 HD12 ' SD ' ' A' 1871 ' ' MET . 1.4 tt -60.05 -46.96 87.81 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 109.179 -0.675 . . . . 0.0 109.179 176.633 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1890 ' ' THR . . . . . . . . . . . . . 45.6 m -57.57 -40.59 79.29 Favored 'General case' 0 C--O 1.237 0.443 0 CA-C-N 115.144 -0.935 . . . . 0.0 111.465 -179.757 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1891 ' ' SER . . . . . . . . . . . . . 48.1 m -66.71 -53.01 38.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.365 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1892 ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -63.72 -37.99 89.42 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 111.81 0.3 . . . . 0.0 111.81 -176.373 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1893 ' ' TYR . . . . . . . . . . . . . 51.8 t80 -58.2 -34.99 70.97 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-O 120.697 0.285 . . . . 0.0 110.797 177.522 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1894 ' ' GLY . . . . . . . . . . . . . . . -58.19 -42.36 95.26 Favored Glycine 0 N--CA 1.449 -0.461 0 C-N-CA 120.967 -0.635 . . . . 0.0 112.008 179.436 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1895 ' ' ARG . . . . . . . . . . . . . 9.8 ttp180 -66.4 -45.19 80.8 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.84 -0.429 . . . . 0.0 109.84 179.107 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1896 ' ' LEU . . . . . 0.459 HD12 ' HB2' ' A' 1857 ' ' MET . 57.3 tp -55.95 -50.55 70.45 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.32 -179.757 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1897 ' ' ALA . . . . . . . . . . . . . . . -64.01 -25.59 68.19 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.342 -178.491 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1898 ' ' SER . . . . . . . . . . . . . 48.9 m -81.58 -21.4 38.41 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.36 0.6 . . . . 0.0 110.095 -176.879 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1899 ' ' GLN . . . . . 0.451 ' OE1' ' HA ' ' A' 1857 ' ' MET . 81.0 mt-30 -91.36 -9.67 44.0 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.267 -0.879 . . . . 0.0 109.778 178.754 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1900 ' ' ALA . . . . . . . . . . . . . . . -80.23 -39.66 28.62 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-N 115.442 -0.799 . . . . 0.0 111.46 -178.805 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1901 ' ' LYS . . . . . 0.427 ' HB3' ' HD3' ' A' 1902 ' ' PRO . 87.6 tttt -63.54 -57.3 20.38 Favored Pre-proline 0 CA--C 1.538 0.495 0 CA-C-N 116.162 -0.472 . . . . 0.0 112.125 -176.263 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1902 ' ' PRO . . . . . 0.522 ' HA ' HG22 ' A' 1905 ' ' VAL . 37.5 Cg_endo -65.56 -22.57 58.27 Favored 'Trans proline' 0 C--N 1.355 0.882 0 C-N-CA 121.902 1.735 . . . . 0.0 112.177 -178.785 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1903 ' ' ALA . . . . . 0.562 ' HB2' ' HB3' ' A' 1853 ' ' TYR . . . -72.13 -33.55 67.89 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.057 0.456 . . . . 0.0 110.437 177.23 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1904 ' ' ALA . . . . . 0.421 ' HB2' ' HD2' ' A' 1917 ' ' LYS . . . -76.87 -38.41 53.72 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.773 -0.649 . . . . 0.0 111.07 -176.62 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1905 ' ' VAL . . . . . 0.522 HG22 ' HA ' ' A' 1902 ' ' PRO . 29.5 m -75.64 -14.06 15.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.894 -179.693 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1906 ' ' ALA . . . . . . . . . . . . . . . -95.81 -25.41 16.05 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.956 0.407 . . . . 0.0 110.697 176.395 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1907 ' ' ALA . . . . . . . . . . . . . . . -67.1 116.61 8.1 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.65 -176.691 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1908 ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -75.67 -32.52 60.2 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.61 -0.723 . . . . 0.0 111.045 177.422 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1909 ' ' ASN . . . . . . . . . . . . . 40.9 t-20 -80.74 131.62 35.45 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.233 -177.37 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1910 ' ' GLU . . . . . . . . . . . . . 44.3 tt0 -52.69 -51.8 58.71 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.285 -0.87 . . . . 0.0 111.489 -178.737 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1911 ' ' GLU . . . . . . . . . . . . . 11.6 mt-10 -70.95 -37.19 72.81 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.805 -0.634 . . . . 0.0 112.053 -173.857 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1912 ' ' ILE . . . . . 0.552 ' O ' HG13 ' A' 1916 ' ' ILE . 56.0 mt -56.4 -53.29 42.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 C-N-CA 120.574 -0.45 . . . . 0.0 109.823 178.873 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1913 ' ' GLY . . . . . . . . . . . . . . . -62.74 -33.63 87.37 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.95 -0.643 . . . . 0.0 112.53 179.572 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1914 ' ' ALA . . . . . . . . . . . . . . . -73.31 -47.86 39.23 Favored 'General case' 0 C--N 1.329 -0.3 0 O-C-N 122.766 -0.255 . . . . 0.0 110.907 -178.438 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1915 ' ' HIS . . . . . 0.485 ' O ' ' HG2' ' A' 1919 ' ' ARG . 71.6 m-70 -60.01 -40.34 88.91 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.101 -177.704 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1916 ' ' ILE . . . . . 0.552 HG13 ' O ' ' A' 1912 ' ' ILE . 90.2 mt -52.52 -59.43 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 O-C-N 123.473 0.483 . . . . 0.0 111.393 -179.224 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1917 ' ' LYS . . . . . 0.581 ' HA ' HG22 ' A' 1920 ' ' VAL . 0.0 OUTLIER -71.02 -36.2 72.3 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 120.591 -0.444 . . . . 0.0 111.122 -178.968 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A 1918 ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -56.9 -41.32 77.89 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.689 0.281 . . . . 0.0 111.519 179.838 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1919 ' ' ARG . . . . . 0.485 ' HG2' ' O ' ' A' 1915 ' ' HIS . 31.6 mmt180 -76.9 -43.61 35.05 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.564 -0.289 . . . . 0.0 111.209 -178.197 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1920 ' ' VAL . . . . . 0.581 HG22 ' HA ' ' A' 1917 ' ' LYS . 28.8 m -71.89 -31.55 41.29 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.212 0 C-N-CA 120.958 -0.297 . . . . 0.0 111.507 -177.675 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1921 ' ' GLN . . . . . 0.56 ' HB2' ' O ' ' A' 1917 ' ' LYS . 0.0 OUTLIER -65.64 -44.64 85.79 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 109.145 -0.687 . . . . 0.0 109.145 177.369 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A 1922 ' ' GLU . . . . . 0.822 ' HB3' ' HD3' ' A' 1960 ' ' LYS . 12.8 mm-40 -69.16 -31.56 70.3 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.305 -0.861 . . . . 0.0 111.17 176.326 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1923 ' ' LEU . . . . . 0.438 ' HB2' ' HA ' ' A' 1920 ' ' VAL . 21.3 mt -65.48 -29.5 70.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.357 173.709 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1924 ' ' GLY . . . . . . . . . . . . . . . -62.15 -47.27 90.94 Favored Glycine 0 N--CA 1.447 -0.604 0 C-N-CA 120.824 -0.703 . . . . 0.0 111.416 174.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1925 ' ' HIS . . . . . . . . . . . . . 35.9 m170 -58.99 -47.17 86.12 Favored 'General case' 0 CA--C 1.519 -0.219 0 CA-C-O 120.939 0.399 . . . . 0.0 110.229 176.592 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1926 ' ' GLY . . . . . 0.405 ' O ' ' HB2' ' A' 1930 ' ' LEU . . . -62.29 -47.28 90.79 Favored Glycine 0 N--CA 1.449 -0.494 0 C-N-CA 120.883 -0.675 . . . . 0.0 112.211 179.701 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1927 ' ' CYS . . . . . 0.453 ' SG ' HD22 ' A' 1889 ' ' LEU . 38.9 t -58.9 -51.29 70.67 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.59 0.233 . . . . 0.0 110.672 178.949 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1928 ' ' SER . . . . . . . . . . . . . 20.4 t -63.01 -39.74 95.67 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.905 -176.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1929 ' ' ALA . . . . . . . . . . . . . . . -69.49 -45.74 68.25 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.614 0.245 . . . . 0.0 110.901 178.816 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1930 ' ' LEU . . . . . 0.405 ' HB2' ' O ' ' A' 1926 ' ' GLY . 0.5 OUTLIER -59.71 -48.63 80.92 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.703 -178.757 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A 1931 ' ' VAL . . . . . . . . . . . . . 32.7 m -64.66 -31.47 53.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 C-N-CA 121.074 -0.25 . . . . 0.0 111.229 -177.937 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1932 ' ' THR . . . . . . . . . . . . . 87.9 m -66.24 -42.47 88.56 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.029 0.442 . . . . 0.0 110.349 176.378 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1933 ' ' LYS . . . . . 0.422 ' HD3' ' HA ' ' A' 1933 ' ' LYS . 68.5 mmtt -73.05 -34.25 66.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.027 179.005 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1934 ' ' ALA . . . . . . . . . . . . . . . -60.73 -47.83 84.53 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 110.132 -0.321 . . . . 0.0 110.132 175.58 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1935 ' ' GLY . . . . . . . . . . . . . . . -69.62 -31.22 70.61 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.98 -0.628 . . . . 0.0 112.366 178.028 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1936 ' ' ALA . . . . . . . . . . . . . . . -67.14 -49.39 65.01 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.769 0.319 . . . . 0.0 110.907 178.484 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1937 ' ' LEU . . . . . 0.554 ' HB2' HG22 ' A' 1946 ' ' THR . 43.8 tp -67.4 -31.07 71.04 Favored 'General case' 0 CA--C 1.514 -0.433 0 CA-C-O 121.296 0.57 . . . . 0.0 109.668 178.313 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1938 ' ' GLN . . . . . 0.424 ' HA ' ' HB2' ' A' 1879 ' ' PRO . 4.9 tt0 -57.26 -39.38 75.5 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.138 -0.937 . . . . 0.0 110.571 178.565 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1939 ' ' CYS . . . . . . . . . . . . . 47.5 m -87.14 -13.26 44.63 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.692 -0.686 . . . . 0.0 111.601 -178.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1940 ' ' SER . . . . . . . . . . . . . 50.4 m -149.96 88.01 4.92 Favored Pre-proline 0 C--N 1.327 -0.402 0 CA-C-O 120.75 0.31 . . . . 0.0 111.562 -177.379 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1941 ' ' PRO . . . . . 0.834 ' HB3' ' HG3' ' A' 1879 ' ' PRO . 60.7 Cg_endo -74.48 -11.19 22.47 Favored 'Trans proline' 0 C--O 1.233 0.268 0 C-N-CA 122.622 2.214 . . . . 0.0 112.587 -179.671 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1942 ' ' SER . . . . . . . . . . . . . 31.0 m -86.96 -5.26 59.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.299 -178.262 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1943 ' ' ASP . . . . . . . . . . . . . 18.1 t70 -94.08 106.23 18.21 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.838 0.351 . . . . 0.0 110.162 -179.719 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1944 ' ' VAL . . . . . 0.494 ' O ' ' HG2' ' A' 1948 ' ' LYS . 8.2 p -70.82 -34.01 54.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.372 -176.032 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1945 ' ' TYR . . . . . 0.435 ' O ' ' HG3' ' A' 1949 ' ' GLU . 47.0 m-85 -59.21 -48.31 82.08 Favored 'General case' 0 CA--C 1.518 -0.274 0 CA-C-O 120.593 0.235 . . . . 0.0 111.024 -177.805 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1946 ' ' THR . . . . . 0.554 HG22 ' HB2' ' A' 1937 ' ' LEU . 88.5 m -57.31 -41.28 79.57 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.035 178.661 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1947 ' ' LYS . . . . . . . . . . . . . 27.4 ttpt -67.27 -42.72 83.38 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 110.137 -0.32 . . . . 0.0 110.137 179.055 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1948 ' ' LYS . . . . . 0.504 ' HE2' ' HA ' ' A' 1948 ' ' LYS . 9.3 mmpt? -58.31 -50.83 72.24 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.24 -0.436 . . . . 0.0 109.883 178.242 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1949 ' ' GLU . . . . . 0.435 ' HG3' ' O ' ' A' 1945 ' ' TYR . 37.5 mt-10 -62.34 -28.53 69.81 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.344 -178.709 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1950 ' ' LEU . . . . . . . . . . . . . 7.0 tt -62.89 -48.66 78.0 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 177.893 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1951 ' ' ILE . . . . . 0.511 HG13 ' HB ' ' A' 1872 ' ' VAL . 1.9 mp -64.72 -45.25 95.77 Favored 'Isoleucine or valine' 0 C--O 1.235 0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.197 175.566 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1952 ' ' GLU . . . . . 0.406 ' O ' ' HG3' ' A' 1956 ' ' ARG . 17.7 mm-40 -61.42 -26.76 68.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.784 -0.644 . . . . 0.0 112.09 -177.901 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1953 ' ' CYS . . . . . . . . . . . . . 10.2 t -86.38 -40.76 15.09 Favored 'General case' 0 C--N 1.322 -0.6 0 C-N-CA 121.054 -0.259 . . . . 0.0 110.419 179.432 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1954 ' ' ALA . . . . . . . . . . . . . . . -62.47 -42.45 99.49 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.25 -179.171 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1955 ' ' ARG . . . . . 0.42 HH11 ' HD3' ' A' 1955 ' ' ARG . 0.0 OUTLIER -62.72 -23.44 67.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.047 0.451 . . . . 0.0 110.75 -179.677 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A 1956 ' ' ARG . . . . . 0.406 ' HG3' ' O ' ' A' 1952 ' ' GLU . 64.3 mtp180 -73.99 -39.12 63.87 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.622 178.018 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1957 ' ' VAL . . . . . 0.624 ' O ' HG13 ' A' 1961 ' ' VAL . 8.8 m -86.32 -30.07 6.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.692 -174.181 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1958 ' ' SER . . . . . 0.448 ' O ' HG22 ' A' 1961 ' ' VAL . 15.5 p -65.94 -32.05 73.32 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.399 0.618 . . . . 0.0 110.476 179.526 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1959 ' ' GLU . . . . . . . . . . . . . 30.7 mm-40 -79.98 -28.66 39.5 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.296 0.569 . . . . 0.0 109.973 173.544 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1960 ' ' LYS . . . . . 0.822 ' HD3' ' HB3' ' A' 1922 ' ' GLU . 27.5 ttmt -74.79 -35.92 62.5 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.549 -0.75 . . . . 0.0 110.476 -176.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1961 ' ' VAL . . . . . 0.813 HG21 ' HB2' ' A' 1865 ' ' ALA . 14.8 m -66.22 -33.54 64.18 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.156 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 174.124 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1962 ' ' SER . . . . . 0.544 ' HA ' HD12 ' A' 1965 ' ' LEU . 44.5 m -68.37 -26.31 65.52 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.09 177.743 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1963 ' ' HIS . . . . . . . . . . . . . 60.1 m170 -76.61 -25.04 53.46 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.213 177.625 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1964 ' ' VAL . . . . . 0.58 ' O ' HD23 ' A' 1968 ' ' LEU . 91.3 t -68.88 -45.97 79.87 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.259 0 N-CA-C 108.796 -0.816 . . . . 0.0 108.796 171.027 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1965 ' ' LEU . . . . . 0.563 ' HG ' ' O ' ' A' 1961 ' ' VAL . 49.0 mt -53.39 -46.79 69.82 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.165 -0.925 . . . . 0.0 110.745 179.257 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1966 ' ' ALA . . . . . . . . . . . . . . . -71.62 -39.14 70.64 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.851 179.883 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1967 ' ' ALA . . . . . . . . . . . . . . . -59.6 -43.35 93.75 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-O 120.874 0.369 . . . . 0.0 111.94 -176.5 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1968 ' ' LEU . . . . . 0.674 ' HB3' ' HG3' ' A' 1854 ' ' GLN . 4.0 mm? -74.2 -19.15 60.63 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.947 -176.914 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1969 ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -96.76 15.8 20.94 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.983 0.42 . . . . 0.0 110.345 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1970 ' ' ALA . . . . . . . . . . . . . . . -90.09 166.17 13.57 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.787 179.463 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1971 ' ' GLY . . . . . . . . . . . . . . . 102.81 -129.92 10.06 Favored Glycine 0 N--CA 1.446 -0.676 0 C-N-CA 120.835 -0.698 . . . . 0.0 112.194 179.049 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1972 ' ' ASN . . . . . . . . . . . . . 44.7 t30 -114.51 -36.09 4.7 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.881 0.372 . . . . 0.0 110.691 -178.602 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1973 ' ' ARG . . . . . 0.502 ' HA ' ' NE ' ' A' 1973 ' ' ARG . 0.2 OUTLIER . . . . . 0 C--O 1.248 1.021 0 CA-C-O 118.644 -0.693 . . . . 0.0 110.498 -176.077 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1837 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.872 0 N-CA-C 112.019 -0.432 . . . . 0.0 112.019 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A 1838 ' ' ILE . . . . . 0.417 ' N ' HD12 ' A' 1838 ' ' ILE . 4.0 mp -97.92 102.06 12.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 N-CA-C 109.613 -0.514 . . . . 0.0 109.613 178.568 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1839 ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -105.39 157.82 33.59 Favored Pre-proline 0 C--N 1.322 -0.599 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.75 -176.841 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1840 ' ' PRO . . . . . . . . . . . . . 86.3 Cg_exo -46.62 -40.61 23.95 Favored 'Trans proline' 0 C--N 1.349 0.561 0 C-N-CA 123.719 2.946 . . . . 0.0 113.911 -176.563 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1841 ' ' PHE . . . . . . . . . . . . . 73.1 m-85 -118.1 33.49 5.61 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.742 0.306 . . . . 0.0 110.99 -177.111 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1842 ' ' THR . . . . . . . . . . . . . 34.9 p 58.93 27.55 16.4 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-N 115.445 -0.798 . . . . 0.0 112.637 173.539 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1843 ' ' MET . . . . . . . . . . . . . 67.9 mtm 64.35 -170.99 0.18 Allowed 'General case' 0 N--CA 1.468 0.425 0 CA-C-O 121.309 0.576 . . . . 0.0 111.645 177.248 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1844 ' ' GLY . . . . . . . . . . . . . . . -136.42 -107.07 0.84 Allowed Glycine 0 N--CA 1.444 -0.769 0 N-CA-C 110.753 -0.939 . . . . 0.0 110.753 176.263 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1845 ' ' ASP . . . . . . . . . . . . . 22.7 m-20 66.59 115.92 0.03 OUTLIER Pre-proline 0 N--CA 1.465 0.3 0 C-N-CA 123.025 0.53 . . . . 0.0 111.966 175.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1846 ' ' PRO . . . . . . . . . . . . . 21.9 Cg_exo -65.13 -19.14 63.0 Favored 'Trans proline' 0 C--N 1.341 0.138 0 C-N-CA 122.932 2.421 . . . . 0.0 112.025 -179.287 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1847 ' ' GLU . . . . . 0.403 ' H ' ' HG3' ' A' 1847 ' ' GLU . 0.0 OUTLIER -104.83 2.64 30.26 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.661 -0.699 . . . . 0.0 111.127 -178.029 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A 1848 ' ' GLY . . . . . . . . . . . . . . . 74.43 -99.29 1.08 Allowed Glycine 0 N--CA 1.451 -0.31 0 CA-C-N 115.967 -0.561 . . . . 0.0 112.087 179.237 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1849 ' ' SER . . . . . . . . . . . . . 2.9 p -141.86 52.49 1.5 Allowed 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.187 0.518 . . . . 0.0 110.584 175.273 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1850 ' ' PHE . . . . . . . . . . . . . 77.9 t80 -66.3 -28.07 68.4 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 108.726 -0.842 . . . . 0.0 108.726 173.459 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1851 ' ' VAL . . . . . . . . . . . . . 19.6 t -56.55 -44.61 81.17 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.918 0 CA-C-N 115.076 -0.965 . . . . 0.0 110.451 173.036 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1852 ' ' ASP . . . . . . . . . . . . . 15.2 t70 -59.82 -49.71 76.64 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.89 -0.595 . . . . 0.0 111.132 177.244 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1853 ' ' TYR . . . . . 0.516 ' O ' HG22 ' A' 1856 ' ' THR . 24.8 m-85 -63.28 -41.88 99.04 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.566 -179.713 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1854 ' ' GLN . . . . . 0.893 ' HG3' ' HB3' ' A' 1968 ' ' LEU . 44.4 tt0 -56.93 -57.1 13.98 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.646 176.909 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1855 ' ' THR . . . . . 0.576 ' O ' ' HG2' ' A' 1859 ' ' ARG . 35.0 m -57.19 -44.2 83.39 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.732 -0.667 . . . . 0.0 112.239 -174.647 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1856 ' ' THR . . . . . 0.516 HG22 ' O ' ' A' 1853 ' ' TYR . 14.2 t -62.41 -45.08 94.73 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 120.971 -0.292 . . . . 0.0 111.688 -175.343 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1857 ' ' MET . . . . . 0.5 ' HB2' HD12 ' A' 1896 ' ' LEU . 11.9 ptm -82.38 -24.08 34.65 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 120.722 -0.391 . . . . 0.0 111.792 -174.936 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1858 ' ' VAL . . . . . 0.465 HG13 ' O ' ' A' 1854 ' ' GLN . 27.4 m -73.42 -34.86 44.24 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.17 0 C-N-CA 119.799 -0.761 . . . . 0.0 109.986 174.937 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1859 ' ' ARG . . . . . 0.576 ' HG2' ' O ' ' A' 1855 ' ' THR . 37.0 mmt180 -61.55 -40.89 96.34 Favored 'General case' 0 N--CA 1.463 0.216 0 N-CA-C 109.255 -0.646 . . . . 0.0 109.255 172.636 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1860 ' ' THR . . . . . . . . . . . . . 32.8 m -66.3 -42.85 87.73 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.046 -0.979 . . . . 0.0 111.202 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1861 ' ' ALA . . . . . . . . . . . . . . . -59.4 -42.1 90.98 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.962 0.411 . . . . 0.0 110.76 178.585 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1862 ' ' LYS . . . . . . . . . . . . . 50.8 mttm -66.35 -38.19 87.04 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.303 178.111 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1863 ' ' ALA . . . . . . . . . . . . . . . -66.7 -38.01 85.87 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.775 177.908 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1864 ' ' ILE . . . . . 0.565 ' O ' HG13 ' A' 1868 ' ' VAL . 68.3 mt -64.39 -47.81 87.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.123 175.375 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1865 ' ' ALA . . . . . 0.784 ' HB2' HG21 ' A' 1961 ' ' VAL . . . -57.28 -49.52 75.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.973 -178.598 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1866 ' ' VAL . . . . . . . . . . . . . 12.3 p -64.58 -27.52 42.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 C-N-CA 120.787 -0.365 . . . . 0.0 110.67 -179.007 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1867 ' ' THR . . . . . 0.652 ' O ' ' HG3' ' A' 1871 ' ' MET . 85.4 m -66.51 -51.4 57.1 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-N 116.548 -0.296 . . . . 0.0 110.572 176.192 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1868 ' ' VAL . . . . . 0.565 HG13 ' O ' ' A' 1864 ' ' ILE . 1.6 m -65.17 -29.64 47.91 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.186 0 CA-C-O 121.745 0.784 . . . . 0.0 109.9 -178.835 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1869 ' ' GLN . . . . . . . . . . . . . 53.9 tp60 -74.25 -27.04 60.57 Favored 'General case' 0 N--CA 1.425 -1.722 0 CA-C-N 114.779 -1.101 . . . . 0.0 110.225 179.853 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1870 ' ' GLU . . . . . 0.524 ' O ' ' HG2' ' A' 1874 ' ' LYS . 30.7 mt-10 -74.61 -39.62 62.05 Favored 'General case' 0 C--O 1.221 -0.406 0 N-CA-C 109.726 -0.472 . . . . 0.0 109.726 169.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1871 ' ' MET . . . . . 0.652 ' HG3' ' O ' ' A' 1867 ' ' THR . 43.4 mtp -56.03 -42.1 75.98 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.207 -177.643 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1872 ' ' VAL . . . . . 0.468 HG12 HG12 ' A' 1951 ' ' ILE . 15.6 m -72.31 -32.15 41.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.785 0.326 . . . . 0.0 111.47 177.643 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1873 ' ' THR . . . . . . . . . . . . . 90.0 m -71.94 -38.11 69.87 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.218 0.533 . . . . 0.0 110.38 178.254 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1874 ' ' LYS . . . . . 0.524 ' HG2' ' O ' ' A' 1870 ' ' GLU . 73.0 mmtt -68.49 -61.02 2.01 Favored 'General case' 0 C--O 1.214 -0.764 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.333 175.437 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1875 ' ' SER . . . . . . . . . . . . . 19.7 p -49.24 -28.91 5.06 Favored 'General case' 0 N--CA 1.472 0.637 0 N-CA-C 113.715 1.006 . . . . 0.0 113.715 -169.718 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1876 ' ' ASN . . . . . 0.435 ' HA ' ' HD2' ' A' 1947 ' ' LYS . 7.7 m-80 -58.37 -41.7 85.34 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 111.654 0.242 . . . . 0.0 111.654 178.637 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1877 ' ' THR . . . . . . . . . . . . . 53.1 p -121.51 -23.31 5.66 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.419 0.628 . . . . 0.0 111.539 -177.906 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1878 ' ' SER . . . . . . . . . . . . . 12.6 m -122.63 105.32 35.86 Favored Pre-proline 0 N--CA 1.439 -1.001 0 CA-C-N 115.237 -0.892 . . . . 0.0 111.853 -166.305 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1879 ' ' PRO . . . . . 0.539 ' HA ' HD12 ' A' 1882 ' ' LEU . 6.3 Cg_exo -79.85 -31.78 1.75 Allowed 'Trans proline' 0 N--CA 1.454 -0.837 0 C-N-CA 122.444 2.096 . . . . 0.0 111.167 172.608 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1880 ' ' GLU . . . . . . . . . . . . . 19.9 mt-10 -71.23 -41.91 69.56 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.041 -0.981 . . . . 0.0 111.118 -172.259 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1881 ' ' GLU . . . . . 0.435 ' CB ' ' HD2' ' A' 1874 ' ' LYS . 12.3 mm-40 -62.42 -14.96 46.28 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.534 -0.757 . . . . 0.0 111.814 -177.711 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1882 ' ' LEU . . . . . 0.539 HD12 ' HA ' ' A' 1879 ' ' PRO . 50.2 mt -76.32 -16.93 59.66 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.647 -177.141 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1883 ' ' GLY . . . . . . . . . . . . . . . -64.72 -61.65 5.71 Favored Glycine 0 N--CA 1.453 -0.188 0 C-N-CA 120.818 -0.706 . . . . 0.0 112.684 178.925 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1884 ' ' PRO . . . . . . . . . . . . . 16.1 Cg_endo -59.4 -33.18 97.49 Favored 'Trans proline' 0 N--CA 1.461 -0.395 0 C-N-CA 122.449 2.099 . . . . 0.0 112.255 177.746 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1885 ' ' LEU . . . . . 0.443 HD11 ' HG3' ' A' 1874 ' ' LYS . 69.6 mt -70.41 -41.63 72.7 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 111.843 0.312 . . . . 0.0 111.843 -178.387 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1886 ' ' ALA . . . . . . . . . . . . . . . -62.82 -43.33 99.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.189 0.519 . . . . 0.0 110.404 179.071 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1887 ' ' ASN . . . . . . . . . . . . . 86.6 m-20 -65.47 -39.84 92.46 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.02 175.685 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1888 ' ' GLN . . . . . . . . . . . . . 31.1 tp60 -63.15 -48.11 79.86 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.283 -178.602 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1889 ' ' LEU . . . . . 0.487 HD12 ' SD ' ' A' 1871 ' ' MET . 0.7 OUTLIER -58.16 -47.82 82.2 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.412 0.625 . . . . 0.0 109.317 177.968 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A 1890 ' ' THR . . . . . . . . . . . . . 87.1 m -58.19 -41.99 85.14 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.272 -0.876 . . . . 0.0 111.454 179.752 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1891 ' ' SER . . . . . . . . . . . . . 50.7 m -64.63 -48.64 74.12 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.516 -179.46 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1892 ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -71.85 -27.76 63.1 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 112.156 0.428 . . . . 0.0 112.156 -174.659 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1893 ' ' TYR . . . . . . . . . . . . . 44.9 t80 -61.09 -38.41 86.2 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.382 -0.527 . . . . 0.0 110.44 176.673 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1894 ' ' GLY . . . . . . . . . . . . . . . -63.27 -33.63 87.78 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.813 -0.708 . . . . 0.0 111.872 177.154 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1895 ' ' ARG . . . . . . . . . . . . . 34.4 ttm180 -69.02 -37.45 78.64 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.11 0.481 . . . . 0.0 110.361 176.587 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1896 ' ' LEU . . . . . 0.514 HD11 HG11 ' A' 1964 ' ' VAL . 57.1 tp -71.43 -53.17 14.9 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.451 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1897 ' ' ALA . . . . . . . . . . . . . . . -63.71 -24.83 67.93 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.925 -0.58 . . . . 0.0 112.234 -173.385 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1898 ' ' SER . . . . . . . . . . . . . 8.8 p -79.87 -24.8 40.98 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.757 0.313 . . . . 0.0 111.001 -176.27 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1899 ' ' GLN . . . . . 0.487 ' HA ' ' OE1' ' A' 1899 ' ' GLN . 12.2 mm-40 -83.81 -11.64 56.75 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.589 179.873 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1900 ' ' ALA . . . . . . . . . . . . . . . -67.68 -24.17 65.38 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.681 176.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1901 ' ' LYS . . . . . 0.71 ' HB3' ' HD3' ' A' 1902 ' ' PRO . 24.1 tptm -75.22 -56.55 1.92 Allowed Pre-proline 0 CA--C 1.542 0.659 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.609 -178.767 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1902 ' ' PRO . . . . . 0.71 ' HD3' ' HB3' ' A' 1901 ' ' LYS . 23.3 Cg_exo -64.98 -30.25 57.06 Favored 'Trans proline' 0 C--N 1.358 1.073 0 C-N-CA 121.986 1.791 . . . . 0.0 112.156 -179.867 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1903 ' ' ALA . . . . . . . . . . . . . . . -70.57 -27.0 63.8 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.685 178.691 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1904 ' ' ALA . . . . . . . . . . . . . . . -77.42 -36.14 53.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.644 -178.435 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1905 ' ' VAL . . . . . 0.414 HG22 ' HA ' ' A' 1902 ' ' PRO . 34.4 m -83.63 -9.07 11.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.184 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1906 ' ' ALA . . . . . . . . . . . . . . . -107.87 1.58 22.83 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.208 0.528 . . . . 0.0 110.594 176.305 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1907 ' ' ALA . . . . . 0.463 ' HB1' ' HB ' ' A' 1912 ' ' ILE . . . -72.04 119.71 16.61 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.894 -179.453 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1908 ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -67.41 -43.53 81.04 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.226 0.536 . . . . 0.0 110.533 179.233 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1909 ' ' ASN . . . . . 0.772 ' HB2' HG13 ' A' 1912 ' ' ILE . 5.2 m-20 -97.39 156.2 16.57 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.552 -177.508 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1910 ' ' GLU . . . . . . . . . . . . . 30.9 tt0 -62.33 -51.94 65.64 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.969 -179.726 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1911 ' ' GLU . . . . . 0.441 ' HB3' ' CD2' ' A' 1915 ' ' HIS . 32.3 mt-10 -65.25 -28.25 69.22 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.711 -0.677 . . . . 0.0 112.387 -174.19 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1912 ' ' ILE . . . . . 0.772 HG13 ' HB2' ' A' 1909 ' ' ASN . 37.5 mt -56.85 -54.6 27.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 C-N-CA 120.37 -0.532 . . . . 0.0 110.004 -179.762 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1913 ' ' GLY . . . . . . . . . . . . . . . -65.56 -27.89 73.04 Favored Glycine 0 N--CA 1.453 -0.222 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.228 179.656 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1914 ' ' ALA . . . . . . . . . . . . . . . -71.43 -49.57 40.35 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.871 0.367 . . . . 0.0 110.206 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1915 ' ' HIS . . . . . 0.666 ' O ' ' HG2' ' A' 1919 ' ' ARG . 90.0 m-70 -65.92 -39.97 91.03 Favored 'General case' 0 N--CA 1.449 -0.503 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.156 -176.756 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1916 ' ' ILE . . . . . 0.568 HG13 ' O ' ' A' 1912 ' ' ILE . 99.1 mt -54.01 -57.96 4.6 Favored 'Isoleucine or valine' 0 C--O 1.235 0.298 0 CA-C-O 120.744 0.307 . . . . 0.0 111.373 179.837 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1917 ' ' LYS . . . . . . . . . . . . . 52.3 mtmt -67.03 -24.26 65.98 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.033 0.444 . . . . 0.0 111.177 -177.906 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1918 ' ' HIS . . . . . . . . . . . . . 32.9 t-80 -72.6 -48.68 37.77 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.604 179.38 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1919 ' ' ARG . . . . . 0.836 ' HD2' ' HB3' ' A' 1963 ' ' HIS . 28.4 mmt180 -69.68 -34.46 73.98 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.478 -173.135 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1920 ' ' VAL . . . . . . . . . . . . . 33.1 m -72.74 -24.86 21.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 121.088 0.471 . . . . 0.0 110.684 178.374 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1921 ' ' GLN . . . . . . . . . . . . . 57.8 tt0 -73.17 -34.09 65.82 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-O 121.161 0.505 . . . . 0.0 109.639 177.284 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1922 ' ' GLU . . . . . . . . . . . . . 53.7 mt-10 -61.3 -46.02 92.06 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.039 175.205 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1923 ' ' LEU . . . . . 0.697 ' HG ' ' HB3' ' A' 1960 ' ' LYS . 18.5 mt -64.15 -30.25 71.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.008 177.701 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1924 ' ' GLY . . . . . . . . . . . . . . . -57.2 -38.56 86.86 Favored Glycine 0 N--CA 1.453 -0.202 0 C-N-CA 120.999 -0.62 . . . . 0.0 112.214 178.659 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1925 ' ' HIS . . . . . . . . . . . . . 30.6 m170 -71.27 -54.39 11.06 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.032 0.444 . . . . 0.0 110.204 177.783 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1926 ' ' GLY . . . . . 0.44 ' HA3' HG12 ' A' 1957 ' ' VAL . . . -62.32 -44.84 97.1 Favored Glycine 0 N--CA 1.45 -0.43 0 CA-C-N 115.518 -0.765 . . . . 0.0 113.45 -174.674 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1927 ' ' CYS . . . . . . . . . . . . . 65.9 m -65.0 -41.88 95.0 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.886 0.343 . . . . 0.0 111.223 -176.9 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1928 ' ' SER . . . . . . . . . . . . . 9.6 t -67.87 -37.34 81.69 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.979 0.419 . . . . 0.0 110.386 -177.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1929 ' ' ALA . . . . . . . . . . . . . . . -72.1 -37.99 69.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.963 0.411 . . . . 0.0 110.619 177.651 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1930 ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -63.81 -49.86 71.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.757 -178.427 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1931 ' ' VAL . . . . . . . . . . . . . 29.6 m -64.79 -27.78 43.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.728 0.299 . . . . 0.0 111.239 -176.922 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1932 ' ' THR . . . . . . . . . . . . . 46.6 m -68.64 -43.88 75.35 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.866 0.365 . . . . 0.0 110.092 176.747 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1933 ' ' LYS . . . . . . . . . . . . . 43.4 mmtm -69.29 -37.53 77.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.685 176.937 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1934 ' ' ALA . . . . . . . . . . . . . . . -60.48 -44.1 96.27 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.542 176.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1935 ' ' GLY . . . . . . . . . . . . . . . -68.4 -39.37 87.43 Favored Glycine 0 N--CA 1.449 -0.494 0 C-N-CA 120.909 -0.662 . . . . 0.0 112.207 177.295 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1936 ' ' ALA . . . . . . . . . . . . . . . -64.27 -48.86 74.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.493 0.187 . . . . 0.0 111.233 -179.446 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1937 ' ' LEU . . . . . 0.558 ' HB2' HG22 ' A' 1946 ' ' THR . 49.7 tp -68.37 -26.54 65.63 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.264 0.554 . . . . 0.0 110.101 179.111 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1938 ' ' GLN . . . . . . . . . . . . . 35.1 tt0 -65.6 -43.85 88.37 Favored 'General case' 0 N--CA 1.445 -0.683 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.338 179.583 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1939 ' ' CYS . . . . . . . . . . . . . 27.8 p -85.33 -17.84 35.6 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.834 -179.772 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1940 ' ' SER . . . . . . . . . . . . . 48.6 m -136.49 87.76 21.17 Favored Pre-proline 0 C--N 1.325 -0.46 0 CA-C-O 120.836 0.35 . . . . 0.0 111.221 -177.028 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1941 ' ' PRO . . . . . . . . . . . . . 85.3 Cg_endo -86.53 0.83 7.85 Favored 'Trans proline' 0 N--CA 1.463 -0.292 0 C-N-CA 122.905 2.403 . . . . 0.0 113.214 -177.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1942 ' ' SER . . . . . . . . . . . . . 33.6 t -92.88 -1.1 57.04 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.084 0.469 . . . . 0.0 110.116 -179.828 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1943 ' ' ASP . . . . . . . . . . . . . 13.8 t70 -106.4 107.84 19.05 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.419 -179.017 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1944 ' ' VAL . . . . . . . . . . . . . 9.9 p -74.96 -24.22 17.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.676 -177.068 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1945 ' ' TYR . . . . . 0.474 ' O ' ' HG3' ' A' 1949 ' ' GLU . 91.5 m-85 -70.34 -41.95 72.53 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.478 -175.877 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1946 ' ' THR . . . . . 0.558 HG22 ' HB2' ' A' 1937 ' ' LEU . 80.7 m -56.71 -42.79 79.79 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.154 173.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1947 ' ' LYS . . . . . 0.509 ' HA ' HD22 ' A' 1937 ' ' LEU . 30.7 ttpt -63.49 -42.67 98.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.168 177.783 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1948 ' ' LYS . . . . . 0.67 ' O ' ' HG2' ' A' 1952 ' ' GLU . 9.6 mmpt? -59.42 -54.61 44.68 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.335 179.415 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1949 ' ' GLU . . . . . 0.474 ' HG3' ' O ' ' A' 1945 ' ' TYR . 37.3 mt-10 -59.43 -36.38 75.79 Favored 'General case' 0 N--CA 1.462 0.167 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.264 -176.012 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1950 ' ' LEU . . . . . . . . . . . . . 9.6 tt -57.02 -52.69 64.28 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.045 177.064 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1951 ' ' ILE . . . . . 0.468 HG12 HG12 ' A' 1872 ' ' VAL . 63.2 mt -68.35 -37.97 78.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.83 -177.77 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1952 ' ' GLU . . . . . 0.67 ' HG2' ' O ' ' A' 1948 ' ' LYS . 26.7 mm-40 -61.6 -30.46 70.7 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-O 121.022 0.439 . . . . 0.0 110.287 178.503 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1953 ' ' CYS . . . . . . . . . . . . . 12.2 t -85.41 -43.4 13.67 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.961 -179.183 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1954 ' ' ALA . . . . . 0.518 ' O ' HG22 ' A' 1957 ' ' VAL . . . -57.06 -39.86 75.73 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.01 -0.541 . . . . 0.0 112.171 -175.473 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1955 ' ' ARG . . . . . 0.469 HH11 ' HD2' ' A' 1955 ' ' ARG . 10.3 ptp85 -64.93 -25.42 67.87 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.879 0.371 . . . . 0.0 111.177 -178.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1956 ' ' ARG . . . . . . . . . . . . . 71.0 mtp180 -77.9 -40.11 40.9 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.739 -176.412 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1957 ' ' VAL . . . . . 0.575 ' O ' HG13 ' A' 1961 ' ' VAL . 12.4 m -67.58 -29.83 46.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 116.488 -0.324 . . . . 0.0 110.876 -175.845 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1958 ' ' SER . . . . . 0.708 ' O ' HG22 ' A' 1961 ' ' VAL . 3.0 m -61.74 -24.29 66.71 Favored 'General case' 0 CA--C 1.53 0.18 0 CA-C-O 121.127 0.489 . . . . 0.0 110.549 177.935 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1959 ' ' GLU . . . . . . . . . . . . . 60.9 mm-40 -73.32 -38.92 65.63 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.057 0.456 . . . . 0.0 109.912 175.572 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1960 ' ' LYS . . . . . 0.697 ' HB3' ' HG ' ' A' 1923 ' ' LEU . 4.3 mptp? -69.09 -30.1 68.32 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.83 -177.91 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1961 ' ' VAL . . . . . 0.784 HG21 ' HB2' ' A' 1865 ' ' ALA . 1.9 m -66.08 -35.26 74.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 N-CA-C 109.44 -0.578 . . . . 0.0 109.44 176.916 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1962 ' ' SER . . . . . 0.634 ' HA ' HD12 ' A' 1965 ' ' LEU . 45.0 t -73.1 -29.05 62.63 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-N 115.581 -0.736 . . . . 0.0 109.363 175.745 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1963 ' ' HIS . . . . . 0.836 ' HB3' ' HD2' ' A' 1919 ' ' ARG . 50.0 m170 -67.24 -38.19 84.78 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.25 177.301 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1964 ' ' VAL . . . . . 0.514 HG11 HD11 ' A' 1896 ' ' LEU . 88.1 t -62.35 -44.17 98.92 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.317 0 N-CA-C 109.553 -0.536 . . . . 0.0 109.553 173.659 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1965 ' ' LEU . . . . . 0.634 HD12 ' HA ' ' A' 1962 ' ' SER . 70.7 mt -55.93 -46.34 78.52 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.771 178.945 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1966 ' ' ALA . . . . . . . . . . . . . . . -74.52 -27.72 60.66 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.766 -179.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1967 ' ' ALA . . . . . . . . . . . . . . . -70.16 -40.17 74.88 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.952 0.406 . . . . 0.0 110.822 179.786 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1968 ' ' LEU . . . . . 0.893 ' HB3' ' HG3' ' A' 1854 ' ' GLN . 4.4 mm? -77.64 -38.63 47.47 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.883 179.383 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1969 ' ' GLN . . . . . . . . . . . . . 48.6 mt-30 -83.06 38.84 0.61 Allowed 'General case' 0 C--O 1.235 0.291 0 CA-C-O 121.292 0.568 . . . . 0.0 110.613 179.113 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1970 ' ' ALA . . . . . . . . . . . . . . . -101.54 173.81 6.26 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.31 179.545 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1971 ' ' GLY . . . . . . . . . . . . . . . 98.04 -15.04 62.1 Favored Glycine 0 N--CA 1.448 -0.532 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.052 178.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1972 ' ' ASN . . . . . . . . . . . . . 19.4 m120 -90.83 -34.3 15.33 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.158 0.504 . . . . 0.0 110.193 179.85 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1973 ' ' ARG . . . . . . . . . . . . . 46.7 ttp180 . . . . . 0 C--O 1.25 1.116 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.034 177.594 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A 1837 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.595 0 N-CA-C 111.772 -0.531 . . . . 0.0 111.772 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A 1838 ' ' ILE . . . . . . . . . . . . . 51.4 mm -101.1 97.06 5.26 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-O 120.9 0.381 . . . . 0.0 110.231 178.564 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1839 ' ' ASP . . . . . 0.416 ' HA ' ' HD3' ' A' 1840 ' ' PRO . 1.1 m-20 -105.13 105.48 51.95 Favored Pre-proline 0 C--N 1.324 -0.539 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.367 178.693 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1840 ' ' PRO . . . . . 0.416 ' HD3' ' HA ' ' A' 1839 ' ' ASP . 8.2 Cg_exo -72.29 -18.32 26.74 Favored 'Trans proline' 0 N--CA 1.463 -0.28 0 C-N-CA 122.91 2.407 . . . . 0.0 111.902 -179.475 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1841 ' ' PHE . . . . . . . . . . . . . 84.4 m-85 -137.26 -178.72 5.34 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.899 -0.591 . . . . 0.0 109.552 179.725 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1842 ' ' THR . . . . . . . . . . . . . 58.6 p -100.63 0.35 39.04 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 120.665 0.269 . . . . 0.0 110.768 178.806 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1843 ' ' MET . . . . . . . . . . . . . 49.8 ttp 62.29 98.19 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.181 0 CA-C-N 115.552 -0.749 . . . . 0.0 111.664 179.063 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1844 ' ' GLY . . . . . . . . . . . . . . . -96.87 75.61 0.7 Allowed Glycine 0 N--CA 1.445 -0.726 0 C-N-CA 120.961 -0.638 . . . . 0.0 111.555 178.281 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1845 ' ' ASP . . . . . 0.454 ' HA ' ' HD3' ' A' 1846 ' ' PRO . 9.5 p-10 -64.87 122.78 81.19 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.248 0.547 . . . . 0.0 110.376 -178.508 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1846 ' ' PRO . . . . . 0.573 ' HB2' ' HB3' ' A' 1908 ' ' GLU . 6.3 Cg_exo -74.45 -27.72 10.89 Favored 'Trans proline' 0 N--CA 1.462 -0.363 0 C-N-CA 123.172 2.582 . . . . 0.0 113.491 -174.925 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1847 ' ' GLU . . . . . 0.806 ' HB2' ' HG2' ' A' 1908 ' ' GLU . 25.1 tt0 -111.29 43.15 1.53 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.249 0.547 . . . . 0.0 111.219 -174.113 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1848 ' ' GLY . . . . . 0.427 ' HA3' ' OD2' ' A' 1845 ' ' ASP . . . -103.39 -39.61 2.56 Favored Glycine 0 N--CA 1.45 -0.43 0 C-N-CA 120.539 -0.839 . . . . 0.0 112.716 -178.014 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1849 ' ' SER . . . . . . . . . . . . . 32.0 t -79.06 -7.88 58.49 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.478 0.656 . . . . 0.0 110.063 178.871 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1850 ' ' PHE . . . . . . . . . . . . . 73.6 t80 -55.08 -30.39 59.55 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.232 -0.895 . . . . 0.0 110.382 173.852 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1851 ' ' VAL . . . . . . . . . . . . . 3.5 m -66.15 -27.48 40.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.866 -0.607 . . . . 0.0 111.17 -177.682 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1852 ' ' ASP . . . . . . . . . . . . . 19.4 m-20 -63.24 -56.45 16.52 Favored 'General case' 0 CA--C 1.518 -0.264 0 CA-C-O 121.45 0.643 . . . . 0.0 109.912 179.312 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1853 ' ' TYR . . . . . 0.569 ' O ' ' HG2' ' A' 1857 ' ' MET . 35.4 m-85 -70.44 -35.28 73.27 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.122 -0.945 . . . . 0.0 110.193 -178.236 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1854 ' ' GLN . . . . . 0.852 ' HG3' ' HB3' ' A' 1968 ' ' LEU . 6.7 tt0 -52.83 -53.48 47.98 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.736 176.907 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1855 ' ' THR . . . . . 0.474 ' O ' ' HG2' ' A' 1859 ' ' ARG . 32.8 m -61.23 -42.86 99.35 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.792 -0.64 . . . . 0.0 112.102 -174.4 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1856 ' ' THR . . . . . 0.421 HG23 ' N ' ' A' 1857 ' ' MET . 9.2 t -69.91 -47.05 63.97 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 112.141 0.423 . . . . 0.0 112.141 -173.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1857 ' ' MET . . . . . 0.569 ' HG2' ' O ' ' A' 1853 ' ' TYR . 12.2 ptm -77.06 -23.61 51.98 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 120.783 -0.367 . . . . 0.0 111.843 -172.465 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1858 ' ' VAL . . . . . 0.442 HG13 ' O ' ' A' 1854 ' ' GLN . 25.7 m -72.75 -31.7 37.75 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.11 0 C-N-CA 119.772 -0.771 . . . . 0.0 109.613 173.507 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1859 ' ' ARG . . . . . 0.555 ' HA ' ' HD2' ' A' 1862 ' ' LYS . 23.5 mmm180 -71.74 -38.94 70.38 Favored 'General case' 0 C--N 1.332 -0.168 0 N-CA-C 109.741 -0.466 . . . . 0.0 109.741 174.94 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1860 ' ' THR . . . . . . . . . . . . . 31.8 m -62.73 -41.42 99.16 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.447 177.298 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1861 ' ' ALA . . . . . 0.405 ' HB1' ' HB ' ' A' 1961 ' ' VAL . . . -59.8 -40.53 88.69 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.922 177.748 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1862 ' ' LYS . . . . . 0.555 ' HD2' ' HA ' ' A' 1859 ' ' ARG . 44.0 mttm -64.86 -39.47 93.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.413 177.947 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1863 ' ' ALA . . . . . . . . . . . . . . . -64.33 -38.78 92.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.556 177.711 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1864 ' ' ILE . . . . . 0.622 ' O ' HG13 ' A' 1868 ' ' VAL . 79.2 mt -64.78 -48.5 84.24 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.031 174.615 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1865 ' ' ALA . . . . . 0.937 ' HB2' HG21 ' A' 1961 ' ' VAL . . . -56.29 -45.92 80.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.907 -0.588 . . . . 0.0 112.285 -177.853 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1866 ' ' VAL . . . . . . . . . . . . . 13.1 p -67.59 -32.03 55.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 C-N-CA 120.759 -0.376 . . . . 0.0 110.31 -179.411 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1867 ' ' THR . . . . . 0.667 ' O ' ' HG3' ' A' 1871 ' ' MET . 96.0 m -66.12 -50.65 63.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.538 178.232 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1868 ' ' VAL . . . . . 0.622 HG13 ' O ' ' A' 1864 ' ' ILE . 2.1 m -62.1 -30.73 49.37 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.233 0 CA-C-O 121.504 0.669 . . . . 0.0 110.053 -179.492 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1869 ' ' GLN . . . . . . . . . . . . . 60.5 tp60 -76.08 -27.86 57.34 Favored 'General case' 0 N--CA 1.425 -1.721 0 CA-C-N 115.143 -0.935 . . . . 0.0 110.291 -179.009 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1870 ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -75.84 -40.05 55.53 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.132 172.144 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1871 ' ' MET . . . . . 0.667 ' HG3' ' O ' ' A' 1867 ' ' THR . 60.9 mtp -58.04 -45.62 86.7 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.989 -178.37 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1872 ' ' VAL . . . . . 0.449 HG12 ' HA ' ' A' 1951 ' ' ILE . 28.9 m -69.79 -33.62 56.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.432 179.389 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1873 ' ' THR . . . . . . . . . . . . . 89.4 m -68.37 -51.04 48.66 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.0 0.429 . . . . 0.0 110.384 177.109 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1874 ' ' LYS . . . . . . . . . . . . . 71.0 mmtt -62.34 -34.92 77.58 Favored 'General case' 0 C--O 1.217 -0.628 0 CA-C-N 115.46 -0.791 . . . . 0.0 111.689 -176.589 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1875 ' ' SER . . . . . 0.61 ' HA ' HD11 ' A' 1882 ' ' LEU . 93.2 p -55.58 -20.39 13.34 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 112.702 0.63 . . . . 0.0 112.702 -173.404 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1876 ' ' ASN . . . . . . . . . . . . . 48.1 m-80 -84.9 -24.3 28.53 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 111.522 0.194 . . . . 0.0 111.522 -177.459 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1877 ' ' THR . . . . . . . . . . . . . 50.0 p -120.29 -28.6 5.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.202 0.525 . . . . 0.0 111.818 -177.358 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1878 ' ' SER . . . . . . . . . . . . . 4.7 m -134.84 116.09 12.43 Favored Pre-proline 0 CA--C 1.506 -0.721 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.685 -171.678 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1879 ' ' PRO . . . . . 0.934 ' HA ' HD12 ' A' 1882 ' ' LEU . 6.2 Cg_exo -82.15 -29.21 1.66 Allowed 'Trans proline' 0 N--CA 1.445 -1.35 0 C-N-CA 121.93 1.754 . . . . 0.0 110.286 162.204 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1880 ' ' GLU . . . . . . . . . . . . . 69.0 mm-40 -56.56 -58.09 9.56 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.023 -0.989 . . . . 0.0 112.079 -176.917 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1881 ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -61.27 -13.91 22.34 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-N 116.155 -0.475 . . . . 0.0 112.261 -177.673 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1882 ' ' LEU . . . . . 0.934 HD12 ' HA ' ' A' 1879 ' ' PRO . 9.6 mt -72.7 -22.81 60.84 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 112.083 0.401 . . . . 0.0 112.083 -175.852 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1883 ' ' GLY . . . . . . . . . . . . . . . -66.14 -60.74 6.09 Favored Glycine 0 CA--C 1.517 0.197 0 C-N-CA 120.704 -0.76 . . . . 0.0 111.998 178.69 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1884 ' ' PRO . . . . . . . . . . . . . 11.3 Cg_endo -57.13 -37.37 98.36 Favored 'Trans proline' 0 C--N 1.346 0.417 0 C-N-CA 122.503 2.135 . . . . 0.0 112.428 175.507 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1885 ' ' LEU . . . . . 0.656 ' HB3' ' HG2' ' A' 1871 ' ' MET . 38.4 mt -61.51 -41.4 97.25 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-O 120.556 0.217 . . . . 0.0 111.38 179.494 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1886 ' ' ALA . . . . . . . . . . . . . . . -63.72 -45.81 88.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.977 0.418 . . . . 0.0 110.626 178.029 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1887 ' ' ASN . . . . . . . . . . . . . 57.8 t30 -63.94 -38.0 89.48 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.086 177.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1888 ' ' GLN . . . . . . . . . . . . . 31.6 tp60 -62.26 -50.65 70.87 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.343 -0.844 . . . . 0.0 111.059 -179.314 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1889 ' ' LEU . . . . . 0.589 HD22 ' SG ' ' A' 1927 ' ' CYS . 1.3 tt -57.65 -43.33 84.84 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 178.526 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1890 ' ' THR . . . . . . . . . . . . . 87.1 m -60.92 -45.03 96.27 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.277 -0.874 . . . . 0.0 111.904 -178.237 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1891 ' ' SER . . . . . . . . . . . . . 63.0 m -68.3 -44.2 75.97 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 111.945 0.35 . . . . 0.0 111.945 -177.05 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1892 ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -67.22 -29.33 68.95 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.993 -0.283 . . . . 0.0 111.287 -178.692 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1893 ' ' TYR . . . . . . . . . . . . . 50.1 t80 -61.39 -37.71 84.41 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 120.919 -0.312 . . . . 0.0 110.428 174.657 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1894 ' ' GLY . . . . . . . . . . . . . . . -60.23 -37.61 93.25 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.897 -0.668 . . . . 0.0 111.684 178.522 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1895 ' ' ARG . . . . . 0.474 ' O ' ' HG2' ' A' 1899 ' ' GLN . 73.3 ttt180 -66.26 -46.67 76.28 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.018 0.437 . . . . 0.0 110.179 176.23 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1896 ' ' LEU . . . . . 0.5 HD12 ' HB2' ' A' 1857 ' ' MET . 49.9 tp -57.08 -48.83 77.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.469 -0.787 . . . . 0.0 111.283 179.401 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1897 ' ' ALA . . . . . . . . . . . . . . . -63.96 -24.24 67.65 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.607 -178.059 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1898 ' ' SER . . . . . . . . . . . . . 44.9 t -80.44 -19.91 45.03 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.021 0.438 . . . . 0.0 110.099 -177.249 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1899 ' ' GLN . . . . . 0.474 ' HG2' ' O ' ' A' 1895 ' ' ARG . 62.6 mm-40 -89.15 -24.16 22.27 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.85 -0.614 . . . . 0.0 109.835 178.92 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1900 ' ' ALA . . . . . . . . . . . . . . . -65.24 -36.32 83.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.648 -178.524 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1901 ' ' LYS . . . . . 0.651 ' HB3' ' HD3' ' A' 1902 ' ' PRO . 0.4 OUTLIER -62.4 -58.24 18.33 Favored Pre-proline 0 CA--C 1.541 0.613 0 CA-C-N 116.416 -0.357 . . . . 0.0 111.702 -179.297 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A 1902 ' ' PRO . . . . . 0.651 ' HD3' ' HB3' ' A' 1901 ' ' LYS . 7.9 Cg_exo -72.34 -26.08 17.74 Favored 'Trans proline' 0 C--N 1.352 0.739 0 C-N-CA 121.778 1.652 . . . . 0.0 112.522 -176.94 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1903 ' ' ALA . . . . . . . . . . . . . . . -68.47 -31.23 70.36 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.978 0.418 . . . . 0.0 110.658 178.719 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1904 ' ' ALA . . . . . . . . . . . . . . . -71.35 -30.06 65.72 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.451 -177.708 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1905 ' ' VAL . . . . . . . . . . . . . 28.8 m -96.42 -13.06 8.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.828 178.548 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1906 ' ' ALA . . . . . . . . . . . . . . . -78.18 -37.5 45.61 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.092 176.552 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1907 ' ' ALA . . . . . 0.671 ' HA ' ' HG3' ' A' 1847 ' ' GLU . . . -71.82 146.72 47.82 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.113 175.726 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1908 ' ' GLU . . . . . 0.806 ' HG2' ' HB2' ' A' 1847 ' ' GLU . 9.3 pt-20 -97.71 -12.75 21.98 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 120.931 0.396 . . . . 0.0 110.275 -179.644 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1909 ' ' ASN . . . . . . . . . . . . . 46.4 t-20 -96.52 136.08 37.53 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.048 -0.524 . . . . 0.0 109.931 177.573 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1910 ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -55.37 -53.16 59.63 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.607 -0.724 . . . . 0.0 111.162 178.413 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1911 ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -60.04 -44.2 94.83 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.858 -172.779 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1912 ' ' ILE . . . . . 0.531 ' O ' HG13 ' A' 1916 ' ' ILE . 59.1 mt -57.19 -53.76 39.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-O 120.713 0.292 . . . . 0.0 110.541 -177.375 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1913 ' ' GLY . . . . . 0.542 ' HA2' HD12 ' A' 1916 ' ' ILE . . . -69.31 -24.89 75.88 Favored Glycine 0 N--CA 1.449 -0.498 0 C-N-CA 120.854 -0.689 . . . . 0.0 112.325 -179.272 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1914 ' ' ALA . . . . . . . . . . . . . . . -73.4 -50.07 23.74 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.706 0.289 . . . . 0.0 110.354 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1915 ' ' HIS . . . . . 0.543 ' O ' ' HG2' ' A' 1919 ' ' ARG . 84.3 m-70 -57.67 -40.68 79.92 Favored 'General case' 0 CA--C 1.516 -0.344 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.907 -178.72 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1916 ' ' ILE . . . . . 0.542 HD12 ' HA2' ' A' 1913 ' ' GLY . 99.7 mt -50.75 -52.03 18.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.799 177.5 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1917 ' ' LYS . . . . . . . . . . . . . 36.3 mtmm -71.43 -28.4 63.96 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.333 -176.663 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1918 ' ' HIS . . . . . . . . . . . . . 37.9 m80 -74.54 -33.88 62.85 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.857 0.36 . . . . 0.0 111.169 178.813 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1919 ' ' ARG . . . . . 0.55 ' CD ' ' HB3' ' A' 1963 ' ' HIS . 28.2 mmt180 -80.92 -33.07 34.4 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.715 -175.145 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1920 ' ' VAL . . . . . . . . . . . . . 34.1 m -70.73 -27.47 30.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-O 121.253 0.549 . . . . 0.0 109.526 173.733 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1921 ' ' GLN . . . . . . . . . . . . . 29.9 tt0 -64.52 -40.98 96.64 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-N 115.437 -0.801 . . . . 0.0 110.079 176.077 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1922 ' ' GLU . . . . . 1.061 ' HB3' ' HD3' ' A' 1960 ' ' LYS . 30.3 mt-10 -58.18 -50.75 72.44 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.48 174.801 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1923 ' ' LEU . . . . . . . . . . . . . 40.8 mt -64.4 -32.37 73.96 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.603 -0.726 . . . . 0.0 111.64 -177.645 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1924 ' ' GLY . . . . . . . . . . . . . . . -59.73 -52.77 51.02 Favored Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 120.575 -0.822 . . . . 0.0 112.09 176.612 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1925 ' ' HIS . . . . . . . . . . . . . 39.8 m80 -68.43 -40.32 81.22 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.806 0.336 . . . . 0.0 110.635 -179.466 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1926 ' ' GLY . . . . . 0.41 ' HA3' HG12 ' A' 1957 ' ' VAL . . . -64.96 -40.67 97.33 Favored Glycine 0 N--CA 1.449 -0.446 0 C-N-CA 120.909 -0.663 . . . . 0.0 112.34 179.14 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1927 ' ' CYS . . . . . 0.589 ' SG ' HD22 ' A' 1889 ' ' LEU . 40.8 t -64.06 -47.17 81.21 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 110.377 -0.231 . . . . 0.0 110.377 178.679 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1928 ' ' SER . . . . . . . . . . . . . 12.6 t -59.28 -36.08 74.89 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.638 -178.638 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1929 ' ' ALA . . . . . . . . . . . . . . . -72.15 -46.58 55.91 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.849 0.357 . . . . 0.0 110.783 176.746 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1930 ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.94 -47.43 84.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.155 -176.833 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1931 ' ' VAL . . . . . . . . . . . . . 30.2 m -64.82 -27.79 43.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.701 0.286 . . . . 0.0 111.255 -177.116 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1932 ' ' THR . . . . . . . . . . . . . 55.6 m -72.59 -40.92 66.19 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.9 0.381 . . . . 0.0 110.083 176.08 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1933 ' ' LYS . . . . . . . . . . . . . 74.4 mmtt -68.82 -37.91 79.52 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.834 178.509 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1934 ' ' ALA . . . . . . . . . . . . . . . -60.6 -48.17 82.98 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.5 177.195 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1935 ' ' GLY . . . . . . . . . . . . . . . -65.35 -39.15 95.7 Favored Glycine 0 N--CA 1.449 -0.475 0 C-N-CA 120.895 -0.669 . . . . 0.0 111.765 177.483 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1936 ' ' ALA . . . . . . . . . . . . . . . -62.09 -44.43 96.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.483 0.183 . . . . 0.0 111.226 179.364 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1937 ' ' LEU . . . . . 0.403 ' CD2' ' HB2' ' A' 1875 ' ' SER . 35.0 tp -68.35 -32.18 72.09 Favored 'General case' 0 CA--C 1.513 -0.465 0 CA-C-O 120.943 0.401 . . . . 0.0 110.523 179.519 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1938 ' ' GLN . . . . . . . . . . . . . 36.1 tt0 -68.06 -26.61 65.93 Favored 'General case' 0 N--CA 1.446 -0.662 0 CA-C-O 121.2 0.524 . . . . 0.0 110.273 179.483 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1939 ' ' CYS . . . . . . . . . . . . . 62.2 m -83.38 -32.71 26.04 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.685 176.916 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1940 ' ' SER . . . . . . . . . . . . . 22.0 m -124.63 75.73 63.83 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.706 178.924 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1941 ' ' PRO . . . . . . . . . . . . . 26.9 Cg_exo -63.93 -24.65 67.41 Favored 'Trans proline' 0 C--N 1.345 0.345 0 C-N-CA 122.929 2.419 . . . . 0.0 113.438 -175.507 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1942 ' ' SER . . . . . . . . . . . . . 17.4 m -89.34 0.81 56.54 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.792 0.33 . . . . 0.0 111.483 -178.046 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1943 ' ' ASP . . . . . . . . . . . . . 19.4 t70 -93.71 110.4 22.03 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.919 0.39 . . . . 0.0 110.531 -178.079 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1944 ' ' VAL . . . . . . . . . . . . . 7.8 p -75.18 -28.01 20.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.845 -177.564 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1945 ' ' TYR . . . . . . . . . . . . . 77.0 m-85 -61.3 -47.74 84.57 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.297 -177.735 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1946 ' ' THR . . . . . . . . . . . . . 50.9 m -61.2 -40.13 92.8 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.396 -0.82 . . . . 0.0 110.925 177.346 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1947 ' ' LYS . . . . . . . . . . . . . 29.7 ttpt -66.16 -40.7 90.73 Favored 'General case' 0 N--CA 1.453 -0.283 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.195 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1948 ' ' LYS . . . . . 0.579 ' HE2' ' HA ' ' A' 1948 ' ' LYS . 9.4 mmpt? -57.48 -46.14 84.03 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.409 179.292 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1949 ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -62.31 -34.85 77.41 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.955 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1950 ' ' LEU . . . . . . . . . . . . . 6.4 tt -61.54 -49.42 76.74 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.623 -0.51 . . . . 0.0 109.623 178.387 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1951 ' ' ILE . . . . . 0.449 ' HA ' HG12 ' A' 1872 ' ' VAL . 1.8 mp -63.88 -44.13 97.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.47 177.649 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1952 ' ' GLU . . . . . 0.617 ' O ' ' HG3' ' A' 1956 ' ' ARG . 46.6 mt-10 -64.42 -30.57 71.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.411 -178.783 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1953 ' ' CYS . . . . . . . . . . . . . 33.5 t -81.32 -37.8 27.78 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.719 0.295 . . . . 0.0 110.897 179.759 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1954 ' ' ALA . . . . . . . . . . . . . . . -66.27 -36.46 83.03 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.837 0.351 . . . . 0.0 111.4 -178.93 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1955 ' ' ARG . . . . . 0.416 ' HG2' ' O ' ' A' 1952 ' ' GLU . 35.7 ptt180 -67.0 -25.15 66.16 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.795 0.331 . . . . 0.0 110.141 177.735 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1956 ' ' ARG . . . . . 0.617 ' HG3' ' O ' ' A' 1952 ' ' GLU . 89.2 mtt180 -74.82 -41.27 60.25 Favored 'General case' 0 C--O 1.219 -0.548 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.416 178.301 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1957 ' ' VAL . . . . . 0.556 ' O ' HG13 ' A' 1961 ' ' VAL . 11.9 m -80.83 -27.3 11.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 C-N-CA 120.674 -0.41 . . . . 0.0 111.545 -176.064 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1958 ' ' SER . . . . . 0.554 ' O ' HG22 ' A' 1961 ' ' VAL . 32.9 p -69.16 -24.02 64.02 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.622 0.248 . . . . 0.0 111.456 -176.446 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1959 ' ' GLU . . . . . 0.441 ' HG3' ' O ' ' A' 1956 ' ' ARG . 0.7 OUTLIER -80.39 -27.07 38.23 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 121.028 0.442 . . . . 0.0 110.254 170.921 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A 1960 ' ' LYS . . . . . 1.061 ' HD3' ' HB3' ' A' 1922 ' ' GLU . 52.7 mttm -76.84 -29.03 55.71 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.735 -176.533 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1961 ' ' VAL . . . . . 0.937 HG21 ' HB2' ' A' 1865 ' ' ALA . 3.2 m -66.14 -33.22 62.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 N-CA-C 108.714 -0.847 . . . . 0.0 108.714 171.848 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1962 ' ' SER . . . . . 0.681 ' HA ' HD12 ' A' 1965 ' ' LEU . 14.5 m -72.59 -25.67 61.41 Favored 'General case' 0 N--CA 1.45 -0.474 0 CA-C-N 115.204 -0.907 . . . . 0.0 109.877 176.434 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1963 ' ' HIS . . . . . 0.55 ' HB3' ' CD ' ' A' 1919 ' ' ARG . 65.6 m170 -72.77 -31.15 64.68 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.724 -0.671 . . . . 0.0 109.99 177.472 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1964 ' ' VAL . . . . . 0.423 ' O ' HD23 ' A' 1968 ' ' LEU . 91.7 t -65.76 -45.56 91.41 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.177 0 N-CA-C 108.745 -0.835 . . . . 0.0 108.745 172.06 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1965 ' ' LEU . . . . . 0.681 HD12 ' HA ' ' A' 1962 ' ' SER . 59.5 mt -54.51 -46.18 73.46 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.251 -0.886 . . . . 0.0 110.451 176.73 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1966 ' ' ALA . . . . . . . . . . . . . . . -69.36 -41.47 76.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.911 -179.589 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1967 ' ' ALA . . . . . . . . . . . . . . . -61.44 -44.95 96.22 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.894 0.378 . . . . 0.0 111.34 -179.776 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1968 ' ' LEU . . . . . 0.852 ' HB3' ' HG3' ' A' 1854 ' ' GLN . 4.3 mm? -72.41 -31.94 65.93 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.05 0.452 . . . . 0.0 110.847 179.761 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1969 ' ' GLN . . . . . . . . . . . . . 47.5 mt-30 -88.62 15.2 8.45 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.88 0.372 . . . . 0.0 110.982 178.862 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1970 ' ' ALA . . . . . . . . . . . . . . . -81.59 -14.14 57.13 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.15 176.575 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1971 ' ' GLY . . . . . . . . . . . . . . . -107.86 -49.52 0.83 Allowed Glycine 0 N--CA 1.449 -0.443 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.583 175.787 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1972 ' ' ASN . . . . . . . . . . . . . 15.2 m120 -105.66 103.99 13.61 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 175.151 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1973 ' ' ARG . . . . . 0.425 ' HD2' ' N ' ' A' 1973 ' ' ARG . 2.5 mpt_? . . . . . 0 C--O 1.249 1.053 0 CA-C-O 118.437 -0.792 . . . . 0.0 110.152 -175.479 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1850 ' ' PHE . . . . . . . . . . . . . 83.7 t80 . . . . . 0 N--CA 1.457 -0.09 0 CA-C-O 120.74 0.305 . . . . 0.0 110.79 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A 1851 ' ' VAL . . . . . . . . . . . . . 23.7 m -57.3 -33.47 43.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.67 -178.609 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1852 ' ' ASP . . . . . . . . . . . . . 27.8 t70 -77.96 -46.57 20.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.539 -0.3 . . . . 0.0 110.488 -179.079 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1853 ' ' TYR . . . . . 0.496 ' CE1' ' HB2' ' A' 1902 ' ' PRO . 68.5 m-85 -64.24 -37.16 86.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.428 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1854 ' ' GLN . . . . . 0.977 ' HG3' ' HB3' ' A' 1968 ' ' LEU . 28.7 tt0 -59.81 -61.08 2.88 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.074 174.775 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1855 ' ' THR . . . . . 0.698 ' O ' ' HG2' ' A' 1859 ' ' ARG . 84.8 m -59.61 -39.05 82.97 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.498 -0.773 . . . . 0.0 111.919 -174.811 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1856 ' ' THR . . . . . 0.489 HG22 ' O ' ' A' 1853 ' ' TYR . 10.8 t -63.5 -47.35 82.06 Favored 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 120.983 -0.287 . . . . 0.0 111.558 -175.397 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1857 ' ' MET . . . . . 0.555 ' HB2' HD12 ' A' 1896 ' ' LEU . 21.1 ptm -82.35 -23.34 35.11 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 121.216 -0.194 . . . . 0.0 111.081 -173.189 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1858 ' ' VAL . . . . . 0.666 ' O ' ' HG3' ' A' 1862 ' ' LYS . 18.5 m -69.87 -32.68 52.67 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.21 0 C-N-CA 119.772 -0.771 . . . . 0.0 109.867 174.164 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1859 ' ' ARG . . . . . 0.698 ' HG2' ' O ' ' A' 1855 ' ' THR . 11.8 mmm180 -60.72 -44.41 96.65 Favored 'General case' 0 CA--C 1.519 -0.228 0 N-CA-C 109.476 -0.564 . . . . 0.0 109.476 175.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1860 ' ' THR . . . . . . . . . . . . . 57.8 m -65.82 -40.95 92.33 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.396 -0.82 . . . . 0.0 110.961 177.379 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1861 ' ' ALA . . . . . 0.427 ' HB1' ' HB ' ' A' 1961 ' ' VAL . . . -61.25 -41.62 97.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.864 0.364 . . . . 0.0 110.891 177.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1862 ' ' LYS . . . . . 0.666 ' HG3' ' O ' ' A' 1858 ' ' VAL . 78.9 mttt -68.02 -35.79 78.88 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.04 177.284 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1863 ' ' ALA . . . . . . . . . . . . . . . -64.57 -42.63 95.51 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.297 177.57 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1864 ' ' ILE . . . . . 0.604 ' O ' HG13 ' A' 1868 ' ' VAL . 76.3 mt -61.5 -45.88 97.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.198 174.676 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1865 ' ' ALA . . . . . 0.773 ' HB2' HG21 ' A' 1961 ' ' VAL . . . -58.82 -36.15 74.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.041 -0.527 . . . . 0.0 112.094 -178.22 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1866 ' ' VAL . . . . . 0.403 ' HA ' ' HB3' ' A' 1869 ' ' GLN . 12.9 p -81.27 -29.2 10.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 C-N-CA 120.327 -0.549 . . . . 0.0 110.7 179.212 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1867 ' ' THR . . . . . 0.471 ' O ' ' HG3' ' A' 1871 ' ' MET . 74.9 m -65.09 -46.69 80.06 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.812 0.339 . . . . 0.0 110.729 175.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1868 ' ' VAL . . . . . 0.604 HG13 ' O ' ' A' 1864 ' ' ILE . 4.0 m -66.58 -28.67 44.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 121.847 0.832 . . . . 0.0 110.008 178.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1869 ' ' GLN . . . . . 0.403 ' HB3' ' HA ' ' A' 1866 ' ' VAL . 1.8 tp-100 -75.94 -28.62 58.03 Favored 'General case' 0 N--CA 1.433 -1.278 0 CA-C-N 114.622 -1.172 . . . . 0.0 109.963 179.51 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1870 ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -74.3 -36.12 63.72 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.146 171.049 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1871 ' ' MET . . . . . 0.473 ' HB3' HD21 ' A' 1950 ' ' LEU . 9.7 mtt -55.28 -45.48 76.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.363 -179.586 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1872 ' ' VAL . . . . . 0.432 HG12 ' HA ' ' A' 1951 ' ' ILE . 28.8 m -72.97 -29.11 28.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.78 0.324 . . . . 0.0 111.466 179.809 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1873 ' ' THR . . . . . . . . . . . . . 90.1 m -75.62 -48.48 22.01 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.016 0.436 . . . . 0.0 110.694 179.479 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1874 ' ' LYS . . . . . 0.415 ' HG3' HD11 ' A' 1885 ' ' LEU . 68.8 mmtt -62.64 -41.48 99.06 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.901 -0.59 . . . . 0.0 111.627 -178.792 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1875 ' ' SER . . . . . 0.453 ' HB3' HD11 ' A' 1882 ' ' LEU . 6.1 p -60.96 -6.64 1.94 Allowed 'General case' 0 N--CA 1.465 0.285 0 N-CA-C 113.219 0.822 . . . . 0.0 113.219 -171.91 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1876 ' ' ASN . . . . . . . . . . . . . 56.6 m-80 -69.64 -48.15 60.92 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.725 0.297 . . . . 0.0 110.598 174.57 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1877 ' ' THR . . . . . . . . . . . . . 75.7 p -124.98 -12.13 7.03 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.917 0.389 . . . . 0.0 111.898 -175.366 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1878 ' ' SER . . . . . . . . . . . . . 50.2 m -131.8 99.34 16.88 Favored Pre-proline 0 C--N 1.319 -0.74 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.825 -171.064 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1879 ' ' PRO . . . . . 0.927 ' HA ' HD12 ' A' 1882 ' ' LEU . 28.1 Cg_endo -94.56 -8.19 1.77 Allowed 'Trans proline' 0 N--CA 1.444 -1.393 0 C-N-CA 121.949 1.766 . . . . 0.0 112.631 174.834 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1880 ' ' GLU . . . . . 0.42 ' CD ' ' H ' ' A' 1880 ' ' GLU . 0.0 OUTLIER -92.19 -30.25 16.03 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.924 0.392 . . . . 0.0 109.947 178.428 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A 1881 ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -60.62 -17.65 48.34 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-O 121.448 0.642 . . . . 0.0 110.435 173.506 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1882 ' ' LEU . . . . . 0.927 HD12 ' HA ' ' A' 1879 ' ' PRO . 2.9 mt -78.84 -11.96 60.01 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.297 -0.865 . . . . 0.0 111.532 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1883 ' ' GLY . . . . . . . . . . . . . . . -65.49 -60.9 6.13 Favored Glycine 0 N--CA 1.449 -0.45 0 C-N-CA 120.753 -0.737 . . . . 0.0 111.796 175.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1884 ' ' PRO . . . . . . . . . . . . . 13.6 Cg_endo -59.14 -34.74 98.66 Favored 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 122.569 2.179 . . . . 0.0 112.364 174.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1885 ' ' LEU . . . . . 0.415 HD11 ' HG3' ' A' 1874 ' ' LYS . 59.2 mt -65.29 -41.16 94.43 Favored 'General case' 0 C--N 1.331 -0.196 0 N-CA-C 111.603 0.223 . . . . 0.0 111.603 -179.491 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1886 ' ' ALA . . . . . . . . . . . . . . . -65.27 -42.06 93.59 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.776 0.322 . . . . 0.0 110.34 178.449 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1887 ' ' ASN . . . . . . . . . . . . . 24.8 t30 -63.53 -41.7 98.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.331 0.586 . . . . 0.0 109.941 175.379 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1888 ' ' GLN . . . . . . . . . . . . . 46.1 tp60 -57.99 -51.91 67.7 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.102 -0.953 . . . . 0.0 111.175 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1889 ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -59.47 -45.76 90.71 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.011 -0.54 . . . . 0.0 109.585 178.814 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1890 ' ' THR . . . . . . . . . . . . . 90.5 m -58.48 -42.93 88.64 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.529 -0.76 . . . . 0.0 111.467 179.827 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1891 ' ' SER . . . . . . . . . . . . . 35.5 t -66.75 -54.28 24.5 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.971 -0.558 . . . . 0.0 111.31 -176.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1892 ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -70.1 -30.0 67.1 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 111.956 0.354 . . . . 0.0 111.956 -174.37 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1893 ' ' TYR . . . . . . . . . . . . . 5.8 t80 -56.48 -42.12 77.73 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.879 -0.328 . . . . 0.0 110.278 174.126 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1894 ' ' GLY . . . . . . . . . . . . . . . -59.24 -37.35 91.7 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.995 -0.622 . . . . 0.0 112.104 179.241 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1895 ' ' ARG . . . . . . . . . . . . . 78.9 ttt180 -70.31 -47.18 62.29 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.875 0.369 . . . . 0.0 110.448 178.707 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1896 ' ' LEU . . . . . 0.555 HD12 ' HB2' ' A' 1857 ' ' MET . 47.6 tp -57.07 -50.51 72.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.773 -0.648 . . . . 0.0 110.902 178.696 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1897 ' ' ALA . . . . . . . . . . . . . . . -65.11 -23.92 67.28 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.282 -179.806 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1898 ' ' SER . . . . . . . . . . . . . 9.2 t -79.76 -40.77 28.01 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.884 -0.413 . . . . 0.0 109.884 -176.81 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1899 ' ' GLN . . . . . . . . . . . . . 12.7 mm100 -72.91 -8.79 57.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.753 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1900 ' ' ALA . . . . . . . . . . . . . . . -68.16 -21.62 64.89 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.677 175.068 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1901 ' ' LYS . . . . . 0.523 ' HB3' ' HD3' ' A' 1902 ' ' PRO . 54.2 tptt -75.7 -58.62 1.35 Allowed Pre-proline 0 CA--C 1.541 0.598 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.589 179.389 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1902 ' ' PRO . . . . . 0.523 ' HD3' ' HB3' ' A' 1901 ' ' LYS . 56.8 Cg_endo -70.88 -18.33 31.82 Favored 'Trans proline' 0 C--N 1.355 0.912 0 C-N-CA 121.948 1.766 . . . . 0.0 112.913 -178.148 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1903 ' ' ALA . . . . . . . . . . . . . . . -79.52 -34.4 41.2 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.92 0.39 . . . . 0.0 110.811 178.299 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1904 ' ' ALA . . . . . . . . . . . . . . . -70.1 -35.02 73.86 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.191 0.519 . . . . 0.0 110.441 -176.678 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1905 ' ' VAL . . . . . . . . . . . . . 27.5 m -86.98 -0.3 7.0 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 115.498 -0.774 . . . . 0.0 111.028 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1906 ' ' ALA . . . . . . . . . . . . . . . -106.64 -28.39 10.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.658 177.746 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1907 ' ' ALA . . . . . . . . . . . . . . . -67.99 121.36 15.92 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.567 178.613 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1908 ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -73.89 -21.76 59.97 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.449 -178.648 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1909 ' ' ASN . . . . . . . . . . . . . 24.4 t-20 -95.16 134.8 37.49 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.488 -178.796 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1910 ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -56.04 -53.8 52.58 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.583 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1911 ' ' GLU . . . . . . . . . . . . . 25.6 mt-10 -64.42 -43.28 94.85 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.515 -173.751 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1912 ' ' ILE . . . . . 0.681 ' O ' HG13 ' A' 1916 ' ' ILE . 69.7 mt -55.45 -53.2 38.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 N-CA-C 110.101 -0.333 . . . . 0.0 110.101 177.004 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1913 ' ' GLY . . . . . 0.452 ' HA2' HD12 ' A' 1916 ' ' ILE . . . -63.89 -34.47 90.02 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 121.072 -0.585 . . . . 0.0 112.721 -178.775 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1914 ' ' ALA . . . . . . . . . . . . . . . -72.69 -47.48 46.89 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 122.737 -0.272 . . . . 0.0 110.754 -178.587 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1915 ' ' HIS . . . . . 0.478 ' O ' ' HG2' ' A' 1919 ' ' ARG . 64.2 m-70 -59.26 -33.2 70.75 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.352 -0.386 . . . . 0.0 111.261 -177.74 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1916 ' ' ILE . . . . . 0.681 HG13 ' O ' ' A' 1912 ' ' ILE . 85.4 mt -51.07 -55.7 6.73 Favored 'Isoleucine or valine' 0 C--O 1.233 0.185 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.018 177.8 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1917 ' ' LYS . . . . . 0.41 ' HB2' ' HE2' ' A' 1917 ' ' LYS . 3.8 mppt? -69.4 -34.58 74.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.173 -178.118 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1918 ' ' HIS . . . . . 0.429 ' O ' ' HB3' ' A' 1921 ' ' GLN . 61.4 m-70 -64.91 -43.93 91.22 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 121.096 -0.242 . . . . 0.0 111.531 -178.194 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1919 ' ' ARG . . . . . 0.478 ' HG2' ' O ' ' A' 1915 ' ' HIS . 30.8 mmt180 -70.27 -38.85 75.18 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 120.818 -0.353 . . . . 0.0 111.342 -175.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1920 ' ' VAL . . . . . . . . . . . . . 14.5 m -73.36 -25.25 21.08 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.226 0 CA-C-O 121.197 0.523 . . . . 0.0 110.099 177.83 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1921 ' ' GLN . . . . . 0.429 ' HB3' ' O ' ' A' 1918 ' ' HIS . 33.6 tt0 -64.24 -48.72 74.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.718 -0.673 . . . . 0.0 109.596 173.546 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1922 ' ' GLU . . . . . 0.589 ' CB ' ' HD3' ' A' 1960 ' ' LYS . 47.4 mt-10 -61.87 -46.98 87.07 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.34 -0.845 . . . . 0.0 110.3 176.018 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1923 ' ' LEU . . . . . 0.556 ' HG ' ' HG2' ' A' 1960 ' ' LYS . 18.0 mt -57.74 -36.78 72.53 Favored 'General case' 0 C--O 1.225 -0.203 0 CA-C-N 115.701 -0.682 . . . . 0.0 111.584 -179.395 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1924 ' ' GLY . . . . . . . . . . . . . . . -54.62 -35.67 57.62 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.234 177.766 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1925 ' ' HIS . . . . . . . . . . . . . 21.6 m170 -79.18 -46.54 17.72 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.883 0.373 . . . . 0.0 110.379 178.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1926 ' ' GLY . . . . . . . . . . . . . . . -67.5 -45.27 79.26 Favored Glycine 0 CA--C 1.518 0.26 0 CA-C-N 115.743 -0.662 . . . . 0.0 113.281 -176.276 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1927 ' ' CYS . . . . . . . . . . . . . 83.8 m -63.99 -39.9 95.18 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.733 0.267 . . . . 0.0 110.715 -179.563 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1928 ' ' SER . . . . . . . . . . . . . 47.9 t -64.61 -38.96 92.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.891 0.377 . . . . 0.0 110.166 178.017 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1929 ' ' ALA . . . . . . . . . . . . . . . -64.19 -44.4 92.11 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.435 177.408 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1930 ' ' LEU . . . . . 0.553 ' CD2' ' HG ' ' A' 1950 ' ' LEU . 0.4 OUTLIER -61.08 -54.09 48.97 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.62 -178.99 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A 1931 ' ' VAL . . . . . . . . . . . . . 33.6 m -62.22 -27.65 42.99 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.172 0 N-CA-C 111.586 0.217 . . . . 0.0 111.586 -176.115 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1932 ' ' THR . . . . . . . . . . . . . 81.8 m -68.04 -45.96 72.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.91 0.386 . . . . 0.0 110.159 176.238 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1933 ' ' LYS . . . . . . . . . . . . . 30.8 mmtp -69.97 -34.88 73.95 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.367 179.825 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1934 ' ' ALA . . . . . . . . . . . . . . . -61.84 -43.01 99.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.446 175.401 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1935 ' ' GLY . . . . . . . . . . . . . . . -70.2 -28.48 71.45 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 121.101 -0.571 . . . . 0.0 112.252 178.663 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1936 ' ' ALA . . . . . . . . . . . . . . . -73.36 -44.57 58.41 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.648 0.261 . . . . 0.0 110.806 179.784 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1937 ' ' LEU . . . . . 0.414 ' HB2' HG22 ' A' 1946 ' ' THR . 20.9 tp -68.59 -29.28 67.77 Favored 'General case' 0 CA--C 1.514 -0.412 0 CA-C-O 121.602 0.715 . . . . 0.0 109.416 177.173 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1938 ' ' GLN . . . . . . . . . . . . . 8.0 tt0 -61.13 -29.05 69.54 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 114.626 -1.17 . . . . 0.0 109.996 176.409 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1939 ' ' CYS . . . . . . . . . . . . . 58.6 m -86.42 -45.91 10.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.679 176.283 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1940 ' ' SER . . . . . . . . . . . . . 75.0 m -123.89 90.66 50.46 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.508 -0.315 . . . . 0.0 111.629 -178.752 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1941 ' ' PRO . . . . . 0.52 ' HB3' ' HG3' ' A' 1879 ' ' PRO . 59.4 Cg_endo -74.61 -14.3 22.16 Favored 'Trans proline' 0 C--N 1.342 0.229 0 C-N-CA 122.52 2.147 . . . . 0.0 112.695 179.39 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1942 ' ' SER . . . . . . . . . . . . . 22.6 t -81.78 -12.19 58.66 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.725 -178.194 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1943 ' ' ASP . . . . . . . . . . . . . 19.1 t70 -89.49 116.31 27.56 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 110.03 -0.359 . . . . 0.0 110.03 -179.436 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1944 ' ' VAL . . . . . . . . . . . . . 10.9 p -75.82 -35.03 29.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.462 -175.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1945 ' ' TYR . . . . . . . . . . . . . 59.6 m-85 -65.01 -40.42 94.87 Favored 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 111.489 0.181 . . . . 0.0 111.489 -175.859 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1946 ' ' THR . . . . . 0.414 HG22 ' HB2' ' A' 1937 ' ' LEU . 63.6 m -56.44 -41.8 77.04 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.244 0.545 . . . . 0.0 110.415 175.454 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1947 ' ' LYS . . . . . 0.414 ' HB3' ' HE2' ' A' 1947 ' ' LYS . 26.2 ttpt -71.69 -40.99 69.18 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.284 179.664 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1948 ' ' LYS . . . . . 0.494 ' O ' ' HG2' ' A' 1952 ' ' GLU . 9.0 mmpt? -54.05 -46.81 72.02 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.06 178.204 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1949 ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 -51.26 -49.65 60.76 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.431 -0.804 . . . . 0.0 110.997 177.507 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1950 ' ' LEU . . . . . 0.553 ' HG ' ' CD2' ' A' 1930 ' ' LEU . 8.9 tt -61.33 -45.37 94.69 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.682 -179.253 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1951 ' ' ILE . . . . . 0.432 ' HA ' HG12 ' A' 1872 ' ' VAL . 1.7 mp -59.99 -45.56 95.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.851 179.386 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1952 ' ' GLU . . . . . 0.494 ' HG2' ' O ' ' A' 1948 ' ' LYS . 61.9 mm-40 -65.13 -33.21 75.48 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.067 0.461 . . . . 0.0 110.525 179.294 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1953 ' ' CYS . . . . . . . . . . . . . 66.4 m -75.7 -46.28 32.05 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.902 -0.59 . . . . 0.0 112.245 -177.115 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1954 ' ' ALA . . . . . . . . . . . . . . . -59.73 -44.83 93.6 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 112.1 0.407 . . . . 0.0 112.1 -174.604 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1955 ' ' ARG . . . . . . . . . . . . . 5.6 ptp180 -61.68 -31.6 71.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.898 0.38 . . . . 0.0 110.823 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1956 ' ' ARG . . . . . . . . . . . . . 42.4 mtp180 -78.04 -43.73 28.51 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.062 -177.378 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1957 ' ' VAL . . . . . 0.559 ' O ' HG13 ' A' 1961 ' ' VAL . 11.1 m -70.23 -30.25 42.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 C-N-CA 120.334 -0.546 . . . . 0.0 110.504 -179.145 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1958 ' ' SER . . . . . . . . . . . . . 46.2 t -64.71 -24.7 67.65 Favored 'General case' 0 CA--C 1.53 0.19 0 CA-C-O 121.014 0.435 . . . . 0.0 109.971 175.211 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1959 ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -81.26 -41.2 22.56 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.225 0.536 . . . . 0.0 110.273 172.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1960 ' ' LYS . . . . . 0.589 ' HD3' ' CB ' ' A' 1922 ' ' GLU . 18.7 ttmm -65.42 -34.78 79.09 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.574 -178.052 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1961 ' ' VAL . . . . . 0.773 HG21 ' HB2' ' A' 1865 ' ' ALA . 20.8 m -68.67 -33.58 60.45 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.114 0 CA-C-O 121.173 0.511 . . . . 0.0 110.027 173.676 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1962 ' ' SER . . . . . 0.589 ' HA ' HD12 ' A' 1965 ' ' LEU . 36.8 t -67.62 -24.2 65.45 Favored 'General case' 0 N--CA 1.451 -0.382 0 CA-C-N 115.666 -0.697 . . . . 0.0 109.93 178.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1963 ' ' HIS . . . . . . . . . . . . . 59.4 m170 -75.53 -24.62 56.77 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.32 179.626 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1964 ' ' VAL . . . . . 0.489 HG11 HD11 ' A' 1896 ' ' LEU . 85.3 t -70.12 -43.89 78.59 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.258 0 N-CA-C 108.671 -0.863 . . . . 0.0 108.671 169.519 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1965 ' ' LEU . . . . . 0.589 HD12 ' HA ' ' A' 1962 ' ' SER . 26.5 mt -57.62 -48.04 80.52 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.137 -0.938 . . . . 0.0 110.201 177.656 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1966 ' ' ALA . . . . . . . . . . . . . . . -68.89 -45.1 71.8 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.577 -0.738 . . . . 0.0 112.088 -177.214 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1967 ' ' ALA . . . . . . . . . . . . . . . -57.88 -47.59 82.33 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-O 121.189 0.519 . . . . 0.0 110.933 -179.571 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1968 ' ' LEU . . . . . 0.977 ' HB3' ' HG3' ' A' 1854 ' ' GLN . 5.2 mp -64.02 -45.23 89.85 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.356 -0.838 . . . . 0.0 111.407 -179.469 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1969 ' ' GLN . . . . . . . . . . . . . 48.6 mt-30 . . . . . 0 C--N 1.325 -0.473 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.649 -175.207 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A 1850 ' ' PHE . . . . . . . . . . . . . 91.2 t80 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 121.152 0.501 . . . . 0.0 110.364 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A 1851 ' ' VAL . . . . . . . . . . . . . 15.1 m -59.81 -30.75 45.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.519 -0.764 . . . . 0.0 111.79 -178.462 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1852 ' ' ASP . . . . . . . . . . . . . 25.5 t70 -80.05 -41.95 24.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.925 0.393 . . . . 0.0 110.333 -177.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1853 ' ' TYR . . . . . 0.489 ' O ' HG22 ' A' 1856 ' ' THR . 47.8 m-85 -67.34 -29.81 69.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.31 0.576 . . . . 0.0 109.964 178.083 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1854 ' ' GLN . . . . . 0.926 ' HG3' ' HB3' ' A' 1968 ' ' LEU . 31.8 tt0 -62.21 -59.89 4.38 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.454 -0.794 . . . . 0.0 110.129 172.824 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1855 ' ' THR . . . . . 0.486 ' O ' ' HG2' ' A' 1859 ' ' ARG . 25.1 m -60.71 -32.85 72.08 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.479 -0.782 . . . . 0.0 112.607 -173.494 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1856 ' ' THR . . . . . 0.489 HG22 ' O ' ' A' 1853 ' ' TYR . 11.8 t -65.91 -50.35 64.77 Favored 'General case' 0 CA--C 1.538 0.506 0 N-CA-C 112.216 0.451 . . . . 0.0 112.216 -174.162 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1857 ' ' MET . . . . . 0.756 ' SD ' HD21 ' A' 1968 ' ' LEU . 7.0 ptp -82.89 -25.13 32.78 Favored 'General case' 0 C--N 1.328 -0.334 0 O-C-N 121.961 -0.462 . . . . 0.0 112.149 -173.694 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1858 ' ' VAL . . . . . 0.537 HG13 ' O ' ' A' 1854 ' ' GLN . 28.2 m -64.96 -29.77 48.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 C-N-CA 120.195 -0.602 . . . . 0.0 110.011 178.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1859 ' ' ARG . . . . . 0.486 ' HG2' ' O ' ' A' 1855 ' ' THR . 41.2 mmm-85 -63.12 -47.11 84.18 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.248 0.547 . . . . 0.0 109.622 174.163 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1860 ' ' THR . . . . . 0.424 ' O ' HG13 ' A' 1864 ' ' ILE . 89.6 m -60.76 -43.75 97.61 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-N 115.272 -0.876 . . . . 0.0 111.208 177.643 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1861 ' ' ALA . . . . . . . . . . . . . . . -57.86 -43.18 85.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.87 0.367 . . . . 0.0 110.965 179.406 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1862 ' ' LYS . . . . . 0.448 ' HG3' ' O ' ' A' 1858 ' ' VAL . 57.6 mttm -63.88 -42.22 97.54 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.288 177.13 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1863 ' ' ALA . . . . . . . . . . . . . . . -65.23 -41.97 93.85 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.723 -0.671 . . . . 0.0 111.029 179.26 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1864 ' ' ILE . . . . . 0.424 HG13 ' O ' ' A' 1860 ' ' THR . 68.9 mt -61.42 -44.15 98.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 N-CA-C 110.123 -0.325 . . . . 0.0 110.123 177.192 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1865 ' ' ALA . . . . . 0.753 ' HB2' HG21 ' A' 1961 ' ' VAL . . . -57.51 -45.22 85.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.813 -179.822 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1866 ' ' VAL . . . . . 0.401 ' O ' ' HG2' ' A' 1869 ' ' GLN . 13.0 p -73.37 -32.49 37.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 C-N-CA 120.487 -0.485 . . . . 0.0 110.467 -179.532 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1867 ' ' THR . . . . . . . . . . . . . 84.5 m -68.52 -46.56 69.26 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.741 0.305 . . . . 0.0 110.727 178.495 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1868 ' ' VAL . . . . . 0.436 ' O ' HG13 ' A' 1872 ' ' VAL . 32.6 m -67.17 -35.26 73.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.475 -0.329 . . . . 0.0 110.723 -179.78 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1869 ' ' GLN . . . . . 0.524 ' O ' HG22 ' A' 1872 ' ' VAL . 1.8 pt20 -73.89 -30.08 62.42 Favored 'General case' 0 N--CA 1.452 -0.349 0 C-N-CA 120.473 -0.491 . . . . 0.0 109.737 179.045 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1870 ' ' GLU . . . . . 0.557 ' O ' ' HG2' ' A' 1874 ' ' LYS . 27.0 mt-10 -62.68 -41.55 99.16 Favored 'General case' 0 C--O 1.219 -0.546 0 N-CA-C 109.778 -0.452 . . . . 0.0 109.778 172.151 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1871 ' ' MET . . . . . 0.48 ' HB3' HD21 ' A' 1950 ' ' LEU . 7.6 mtt -55.11 -44.47 75.01 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.076 178.856 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1872 ' ' VAL . . . . . 0.987 ' HB ' HG13 ' A' 1951 ' ' ILE . 1.3 m -75.06 -29.12 21.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 121.294 0.569 . . . . 0.0 110.789 -179.369 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1873 ' ' THR . . . . . . . . . . . . . 91.7 m -79.07 -44.46 22.09 Favored 'General case' 0 N--CA 1.441 -0.924 0 CA-C-N 115.508 -0.769 . . . . 0.0 111.207 -177.706 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1874 ' ' LYS . . . . . 0.557 ' HG2' ' O ' ' A' 1870 ' ' GLU . 31.5 mmtp -67.24 -40.25 86.29 Favored 'General case' 0 C--O 1.219 -0.506 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.613 -178.912 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1875 ' ' SER . . . . . 0.539 ' HB3' HD11 ' A' 1882 ' ' LEU . 6.1 p -58.0 -14.86 7.29 Favored 'General case' 0 N--CA 1.466 0.326 0 N-CA-C 113.168 0.803 . . . . 0.0 113.168 -172.439 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1876 ' ' ASN . . . . . . . . . . . . . 62.4 m-80 -63.87 -42.88 97.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.81 0.338 . . . . 0.0 110.494 176.149 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1877 ' ' THR . . . . . . . . . . . . . 27.4 p -122.83 -30.15 3.87 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.133 0.492 . . . . 0.0 112.088 -177.023 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1878 ' ' SER . . . . . . . . . . . . . 75.4 m -120.7 103.18 43.88 Favored Pre-proline 0 C--N 1.32 -0.706 0 CA-C-N 115.708 -0.678 . . . . 0.0 112.093 -169.122 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1879 ' ' PRO . . . . . 1.051 ' HA ' HD12 ' A' 1882 ' ' LEU . 21.9 Cg_endo -92.66 -7.72 2.73 Favored 'Trans proline' 0 N--CA 1.445 -1.382 0 C-N-CA 121.862 1.708 . . . . 0.0 111.182 171.521 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1880 ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 -72.36 -42.67 65.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.188 -0.915 . . . . 0.0 110.266 178.063 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1881 ' ' GLU . . . . . . . . . . . . . 54.3 mm-40 -63.57 -14.59 52.89 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.391 -0.822 . . . . 0.0 111.387 -179.486 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1882 ' ' LEU . . . . . 1.051 HD12 ' HA ' ' A' 1879 ' ' PRO . 3.1 mt -80.85 -9.01 59.86 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.711 -0.677 . . . . 0.0 112.33 -171.477 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1883 ' ' GLY . . . . . . . . . . . . . . . -76.09 -60.24 3.16 Favored Glycine 0 N--CA 1.448 -0.524 0 C-N-CA 120.52 -0.847 . . . . 0.0 111.434 175.06 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1884 ' ' PRO . . . . . . . . . . . . . 45.0 Cg_exo -57.32 -40.92 78.22 Favored 'Trans proline' 0 C--N 1.349 0.571 0 C-N-CA 122.759 2.306 . . . . 0.0 112.36 176.078 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1885 ' ' LEU . . . . . . . . . . . . . 56.5 mt -60.43 -37.79 82.04 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-O 120.592 0.234 . . . . 0.0 111.396 -179.465 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1886 ' ' ALA . . . . . . . . . . . . . . . -63.48 -50.32 70.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.973 0.416 . . . . 0.0 110.52 178.7 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1887 ' ' ASN . . . . . . . . . . . . . 56.8 t30 -63.17 -40.43 97.51 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.374 178.713 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1888 ' ' GLN . . . . . . . . . . . . . 28.6 tp60 -61.14 -48.63 80.72 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.277 -179.518 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1889 ' ' LEU . . . . . 0.436 HD11 HG12 ' A' 1868 ' ' VAL . 0.9 OUTLIER -55.81 -48.03 76.12 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 108.878 -0.786 . . . . 0.0 108.878 177.288 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A 1890 ' ' THR . . . . . . . . . . . . . 24.8 m -58.97 -42.22 89.4 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 114.814 -1.085 . . . . 0.0 111.293 -179.318 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1891 ' ' SER . . . . . . . . . . . . . 62.6 m -63.72 -49.18 74.09 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.786 -178.447 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1892 ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -68.56 -33.9 74.9 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 121.001 -0.28 . . . . 0.0 111.23 -177.804 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1893 ' ' TYR . . . . . . . . . . . . . 47.5 t80 -58.91 -33.99 71.18 Favored 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 121.065 -0.254 . . . . 0.0 110.641 177.538 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1894 ' ' GLY . . . . . . . . . . . . . . . -55.84 -38.89 75.69 Favored Glycine 0 C--N 1.332 0.309 0 C-N-CA 120.983 -0.627 . . . . 0.0 111.883 176.648 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1895 ' ' ARG . . . . . 0.477 ' O ' ' HG2' ' A' 1899 ' ' GLN . 75.2 mtp180 -66.93 -53.51 31.19 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.046 0.45 . . . . 0.0 110.053 176.571 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1896 ' ' LEU . . . . . 0.499 HD12 ' HB2' ' A' 1857 ' ' MET . 63.7 tp -52.56 -49.55 64.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.231 -0.895 . . . . 0.0 111.542 -177.907 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1897 ' ' ALA . . . . . . . . . . . . . . . -65.94 -29.82 70.29 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.647 -177.028 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1898 ' ' SER . . . . . . . . . . . . . 42.1 m -81.02 -32.5 34.14 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.759 0.314 . . . . 0.0 110.756 -176.246 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1899 ' ' GLN . . . . . 0.477 ' HG2' ' O ' ' A' 1895 ' ' ARG . 83.5 mm-40 -78.66 -10.4 59.74 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.62 -178.87 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1900 ' ' ALA . . . . . . . . . . . . . . . -70.66 -26.94 63.67 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.764 178.701 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1901 ' ' LYS . . . . . 0.433 ' HB3' ' HD3' ' A' 1902 ' ' PRO . 86.9 tttt -71.3 -57.74 4.38 Favored Pre-proline 0 CA--C 1.538 0.498 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.427 -179.37 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1902 ' ' PRO . . . . . 0.612 ' HA ' HG22 ' A' 1905 ' ' VAL . 36.6 Cg_endo -65.67 -22.47 57.59 Favored 'Trans proline' 0 C--N 1.356 0.957 0 C-N-CA 121.984 1.789 . . . . 0.0 112.485 -179.747 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1903 ' ' ALA . . . . . . . . . . . . . . . -73.56 -31.41 63.62 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.91 0.386 . . . . 0.0 110.441 177.035 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1904 ' ' ALA . . . . . . . . . . . . . . . -77.5 -34.1 54.26 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.608 -178.709 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1905 ' ' VAL . . . . . 0.612 HG22 ' HA ' ' A' 1902 ' ' PRO . 22.3 m -80.54 -12.1 12.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.039 -179.636 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1906 ' ' ALA . . . . . . . . . . . . . . . -106.27 6.0 30.28 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.039 0.447 . . . . 0.0 110.281 176.204 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1907 ' ' ALA . . . . . . . . . . . . . . . -81.91 131.72 35.26 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.885 -179.385 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1908 ' ' GLU . . . . . . . . . . . . . 35.9 mm-40 -80.35 -30.94 38.03 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.96 -178.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1909 ' ' ASN . . . . . 0.699 ' HB2' HG13 ' A' 1912 ' ' ILE . 91.5 m-20 -112.71 156.15 23.28 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.53 -0.305 . . . . 0.0 110.863 -176.764 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1910 ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -50.49 -53.33 30.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.334 -0.848 . . . . 0.0 110.917 178.085 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1911 ' ' GLU . . . . . 0.496 ' HB3' ' CD2' ' A' 1915 ' ' HIS . 1.3 mm-40 -75.39 -29.0 59.68 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 114.516 -1.22 . . . . 0.0 113.009 -170.419 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1912 ' ' ILE . . . . . 0.699 HG13 ' HB2' ' A' 1909 ' ' ASN . 58.0 mt -55.05 -53.39 34.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 C-N-CA 120.665 -0.414 . . . . 0.0 110.122 -179.563 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1913 ' ' GLY . . . . . . . . . . . . . . . -71.53 -33.37 63.94 Favored Glycine 0 N--CA 1.447 -0.602 0 C-N-CA 120.612 -0.804 . . . . 0.0 112.125 179.053 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1914 ' ' ALA . . . . . . . . . . . . . . . -69.03 -44.49 72.61 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.525 0.202 . . . . 0.0 110.79 -176.369 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1915 ' ' HIS . . . . . 0.523 ' O ' ' HG2' ' A' 1919 ' ' ARG . 63.4 m-70 -59.73 -45.4 92.29 Favored 'General case' 0 CA--C 1.519 -0.232 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.726 -179.406 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1916 ' ' ILE . . . . . 0.456 HG13 ' O ' ' A' 1912 ' ' ILE . 82.5 mt -54.08 -58.99 2.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.608 178.213 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1917 ' ' LYS . . . . . 0.516 ' O ' ' HG2' ' A' 1921 ' ' GLN . 21.5 mtpp -60.78 -33.39 72.89 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.353 -0.84 . . . . 0.0 111.641 -177.78 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1918 ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -71.58 -43.92 65.41 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.341 -178.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1919 ' ' ARG . . . . . 0.523 ' HG2' ' O ' ' A' 1915 ' ' HIS . 0.8 OUTLIER -73.56 -35.88 65.53 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.567 -0.288 . . . . 0.0 111.288 -176.279 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A 1920 ' ' VAL . . . . . . . . . . . . . 31.4 m -68.23 -29.71 45.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.799 0.333 . . . . 0.0 110.464 177.518 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1921 ' ' GLN . . . . . 0.516 ' HG2' ' O ' ' A' 1917 ' ' LYS . 12.3 mm100 -67.84 -41.66 82.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.871 0.367 . . . . 0.0 110.346 175.771 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1922 ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -67.69 -37.54 82.44 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.555 177.412 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1923 ' ' LEU . . . . . . . . . . . . . 33.0 mt -64.74 -31.1 72.17 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.523 174.204 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1924 ' ' GLY . . . . . . . . . . . . . . . -64.38 -45.35 93.57 Favored Glycine 0 N--CA 1.449 -0.485 0 C-N-CA 120.987 -0.625 . . . . 0.0 111.648 174.704 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1925 ' ' HIS . . . . . . . . . . . . . 29.2 m170 -64.17 -39.83 94.83 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.128 0.489 . . . . 0.0 109.846 176.436 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1926 ' ' GLY . . . . . . . . . . . . . . . -66.35 -52.55 34.86 Favored Glycine 0 N--CA 1.447 -0.583 0 CA-C-N 115.332 -0.849 . . . . 0.0 113.24 -178.822 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1927 ' ' CYS . . . . . . . . . . . . . 22.6 p -62.45 -40.25 96.01 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 117.127 0.463 . . . . 0.0 111.053 -177.221 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1928 ' ' SER . . . . . . . . . . . . . 37.5 t -58.87 -44.07 90.99 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-O 120.779 0.323 . . . . 0.0 110.684 178.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1929 ' ' ALA . . . . . . . . . . . . . . . -70.51 -40.77 73.33 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.879 0.371 . . . . 0.0 110.439 178.066 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1930 ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -61.73 -53.55 54.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.986 -178.305 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1931 ' ' VAL . . . . . . . . . . . . . 30.0 m -63.16 -29.5 47.39 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.171 0 CA-C-O 120.679 0.276 . . . . 0.0 111.017 -176.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1932 ' ' THR . . . . . . . . . . . . . 87.0 m -68.54 -44.99 73.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.444 176.484 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1933 ' ' LYS . . . . . . . . . . . . . 73.1 mmtt -67.77 -34.36 76.64 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.462 177.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1934 ' ' ALA . . . . . 0.486 ' HA ' HD12 ' A' 1950 ' ' LEU . . . -59.83 -48.92 79.74 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.343 175.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1935 ' ' GLY . . . . . . . . . . . . . . . -68.0 -41.15 88.21 Favored Glycine 0 N--CA 1.449 -0.494 0 C-N-CA 120.999 -0.619 . . . . 0.0 112.027 177.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1936 ' ' ALA . . . . . . . . . . . . . . . -61.62 -41.23 97.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.574 0.226 . . . . 0.0 111.287 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1937 ' ' LEU . . . . . 0.487 ' HB2' HG22 ' A' 1946 ' ' THR . 34.2 tp -70.6 -34.9 72.67 Favored 'General case' 0 CA--C 1.511 -0.539 0 CA-C-O 121.035 0.445 . . . . 0.0 110.211 177.585 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1938 ' ' GLN . . . . . . . . . . . . . 37.5 tt0 -65.21 -26.89 68.33 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.159 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1939 ' ' CYS . . . . . . . . . . . . . 76.1 m -78.5 -13.81 59.66 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.376 176.472 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1940 ' ' SER . . . . . . . . . . . . . 69.3 m -159.27 84.5 2.32 Favored Pre-proline 0 N--CA 1.465 0.312 0 CA-C-O 120.723 0.297 . . . . 0.0 110.737 -179.29 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1941 ' ' PRO . . . . . 0.633 ' HB3' ' HG3' ' A' 1879 ' ' PRO . 55.7 Cg_endo -71.09 -18.97 30.46 Favored 'Trans proline' 0 C--N 1.343 0.265 0 C-N-CA 122.753 2.302 . . . . 0.0 113.319 -174.3 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1942 ' ' SER . . . . . . . . . . . . . 4.0 p -79.92 -23.59 41.65 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.755 -177.041 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1943 ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -77.06 111.12 12.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.117 0.484 . . . . 0.0 110.548 -179.12 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1944 ' ' VAL . . . . . 0.454 ' O ' ' HG3' ' A' 1948 ' ' LYS . 14.6 p -71.05 -32.6 48.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.508 -175.406 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1945 ' ' TYR . . . . . . . . . . . . . 97.8 m-85 -60.87 -48.02 83.74 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.505 -0.316 . . . . 0.0 111.545 -174.826 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1946 ' ' THR . . . . . 0.487 HG22 ' HB2' ' A' 1937 ' ' LEU . 95.9 m -59.89 -37.44 79.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.078 0.466 . . . . 0.0 110.662 177.51 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1947 ' ' LYS . . . . . . . . . . . . . 31.6 ttpt -61.52 -48.31 81.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.588 -179.67 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1948 ' ' LYS . . . . . 0.454 ' HG3' ' O ' ' A' 1944 ' ' VAL . 13.4 mtpt -63.62 -37.88 89.01 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.115 -173.226 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1949 ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -63.47 -31.96 73.26 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.022 0.439 . . . . 0.0 110.527 178.665 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1950 ' ' LEU . . . . . 0.592 HD11 HD22 ' A' 1882 ' ' LEU . 8.6 tt -66.11 -52.08 51.96 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.776 -0.647 . . . . 0.0 109.628 176.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1951 ' ' ILE . . . . . 0.987 HG13 ' HB ' ' A' 1872 ' ' VAL . 1.9 mp -57.97 -45.6 87.86 Favored 'Isoleucine or valine' 0 C--O 1.235 0.324 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.085 177.244 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1952 ' ' GLU . . . . . 0.485 ' O ' ' HG3' ' A' 1956 ' ' ARG . 51.9 mm-40 -59.47 -36.86 76.78 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.719 -0.673 . . . . 0.0 112.135 -179.162 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1953 ' ' CYS . . . . . 0.423 ' O ' HG13 ' A' 1957 ' ' VAL . 39.6 t -75.69 -46.28 32.11 Favored 'General case' 0 C--N 1.319 -0.745 0 C-N-CA 120.715 -0.394 . . . . 0.0 110.791 -178.295 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1954 ' ' ALA . . . . . 0.477 ' HB3' ' CG1' ' A' 1872 ' ' VAL . . . -62.64 -40.94 98.59 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 111.967 0.358 . . . . 0.0 111.967 -175.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1955 ' ' ARG . . . . . . . . . . . . . 5.7 ptm180 -63.31 -29.7 70.97 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.101 0.476 . . . . 0.0 110.72 179.203 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1956 ' ' ARG . . . . . 0.485 ' HG3' ' O ' ' A' 1952 ' ' GLU . 54.4 mtt-85 -82.1 -35.06 28.99 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.114 -177.632 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1957 ' ' VAL . . . . . 0.518 ' O ' HG13 ' A' 1961 ' ' VAL . 8.6 m -80.26 -28.94 12.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 C-N-CA 120.899 -0.32 . . . . 0.0 111.146 -179.462 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1958 ' ' SER . . . . . 0.62 ' O ' HG22 ' A' 1961 ' ' VAL . 12.4 p -65.72 -24.32 66.95 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 121.188 0.518 . . . . 0.0 110.337 178.141 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1959 ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -74.21 -39.68 62.95 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.058 171.455 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1960 ' ' LYS . . . . . 0.439 ' HG3' ' O ' ' A' 1956 ' ' ARG . 65.4 mttm -65.39 -31.92 73.28 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.266 -177.262 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1961 ' ' VAL . . . . . 0.753 HG21 ' HB2' ' A' 1865 ' ' ALA . 3.7 m -64.08 -35.25 73.06 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.221 0 CA-C-O 121.034 0.445 . . . . 0.0 109.835 178.081 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1962 ' ' SER . . . . . 0.663 ' HA ' HD12 ' A' 1965 ' ' LEU . 20.1 m -73.16 -24.55 60.59 Favored 'General case' 0 N--CA 1.442 -0.851 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.478 176.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1963 ' ' HIS . . . . . 0.407 ' ND1' ' HA ' ' A' 1960 ' ' LYS . 39.9 m170 -73.77 -28.9 61.9 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.412 -0.588 . . . . 0.0 109.412 177.203 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1964 ' ' VAL . . . . . 0.495 ' O ' HD23 ' A' 1968 ' ' LEU . 84.5 t -65.95 -49.14 78.91 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.207 0 N-CA-C 108.827 -0.805 . . . . 0.0 108.827 169.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1965 ' ' LEU . . . . . 0.663 HD12 ' HA ' ' A' 1962 ' ' SER . 57.0 mt -51.0 -47.18 61.64 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.627 177.645 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1966 ' ' ALA . . . . . . . . . . . . . . . -63.14 -36.05 82.31 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.953 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1967 ' ' ALA . . . . . . . . . . . . . . . -67.39 -44.78 78.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.831 0.348 . . . . 0.0 111.125 -179.283 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1968 ' ' LEU . . . . . 0.926 ' HB3' ' HG3' ' A' 1854 ' ' GLN . 4.0 mm? -70.98 -29.15 65.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.902 -179.169 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1969 ' ' GLN . . . . . . . . . . . . . 71.5 mt-30 . . . . . 0 C--N 1.326 -0.433 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.256 -179.546 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A 1850 ' ' PHE . . . . . 0.4 ' HA ' ' HD2' ' A' 1853 ' ' TYR . 40.0 t80 . . . . . 0 N--CA 1.455 -0.217 0 CA-C-O 120.838 0.351 . . . . 0.0 110.713 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1851 ' ' VAL . . . . . . . . . . . . . 34.5 m -58.5 -25.04 26.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.794 -0.639 . . . . 0.0 112.075 -177.471 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1852 ' ' ASP . . . . . . . . . . . . . 19.3 t70 -71.99 -52.66 15.97 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.816 0.341 . . . . 0.0 110.457 177.484 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1853 ' ' TYR . . . . . 0.557 ' O ' ' HG2' ' A' 1857 ' ' MET . 20.2 m-85 -61.0 -42.86 99.26 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.13 -0.693 . . . . 0.0 109.13 178.31 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1854 ' ' GLN . . . . . 0.765 ' HG3' ' HB3' ' A' 1968 ' ' LEU . 39.0 tt0 -49.4 -60.5 2.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 114.564 -1.198 . . . . 0.0 110.775 176.589 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1855 ' ' THR . . . . . 0.612 ' O ' ' HG2' ' A' 1859 ' ' ARG . 29.7 m -64.41 -27.75 69.21 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.314 -177.124 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1856 ' ' THR . . . . . 0.458 HG22 ' N ' ' A' 1857 ' ' MET . 1.0 OUTLIER -69.25 -56.17 8.35 Favored 'General case' 0 N--CA 1.445 -0.677 0 CA-C-O 120.838 0.352 . . . . 0.0 111.515 179.029 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A 1857 ' ' MET . . . . . 0.887 ' HG3' HD11 ' A' 1968 ' ' LEU . 7.0 ptm -77.88 -17.72 57.01 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 111.895 0.332 . . . . 0.0 111.895 -170.911 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1858 ' ' VAL . . . . . 0.469 HG13 ' O ' ' A' 1854 ' ' GLN . 34.5 m -66.32 -40.44 86.76 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.165 0 C-N-CA 119.651 -0.82 . . . . 0.0 109.545 170.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1859 ' ' ARG . . . . . 0.612 ' HG2' ' O ' ' A' 1855 ' ' THR . 36.4 mmt180 -62.81 -41.62 99.37 Favored 'General case' 0 CA--C 1.519 -0.213 0 CA-C-O 121.26 0.552 . . . . 0.0 109.611 177.659 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1860 ' ' THR . . . . . 0.443 HG21 ' HB2' ' A' 1896 ' ' LEU . 32.6 m -65.84 -45.22 83.04 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.273 -0.876 . . . . 0.0 111.06 -178.544 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1861 ' ' ALA . . . . . 0.454 ' HB1' ' HB ' ' A' 1961 ' ' VAL . . . -60.64 -41.21 94.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.861 0.363 . . . . 0.0 110.694 178.598 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1862 ' ' LYS . . . . . . . . . . . . . 57.1 mttm -66.7 -38.44 86.76 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.492 177.847 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1863 ' ' ALA . . . . . . . . . . . . . . . -64.26 -42.38 96.51 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.527 177.641 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1864 ' ' ILE . . . . . 0.647 ' O ' HG13 ' A' 1868 ' ' VAL . 66.7 mt -62.28 -46.81 95.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.154 175.689 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1865 ' ' ALA . . . . . 0.801 ' HB2' HG21 ' A' 1961 ' ' VAL . . . -56.07 -48.45 76.07 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.707 -179.345 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1866 ' ' VAL . . . . . . . . . . . . . 8.7 p -67.93 -29.79 46.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 C-N-CA 120.489 -0.484 . . . . 0.0 110.454 -179.509 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1867 ' ' THR . . . . . 0.668 ' O ' ' HG3' ' A' 1871 ' ' MET . 95.8 m -67.39 -50.29 60.24 Favored 'General case' 0 N--CA 1.455 -0.198 0 CA-C-N 116.729 -0.214 . . . . 0.0 110.663 177.842 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1868 ' ' VAL . . . . . 0.647 HG13 ' O ' ' A' 1864 ' ' ILE . 2.9 m -61.54 -31.83 51.75 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.313 0 CA-C-O 121.716 0.769 . . . . 0.0 109.743 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1869 ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -74.31 -32.6 62.91 Favored 'General case' 0 N--CA 1.424 -1.727 0 CA-C-N 114.642 -1.163 . . . . 0.0 110.265 -179.371 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1870 ' ' GLU . . . . . 0.597 ' O ' ' HG2' ' A' 1874 ' ' LYS . 39.2 mt-10 -70.46 -44.49 67.67 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.286 173.271 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1871 ' ' MET . . . . . 0.668 ' HG3' ' O ' ' A' 1867 ' ' THR . 43.1 mtp -52.81 -51.45 60.77 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.034 -177.686 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1872 ' ' VAL . . . . . 0.466 HG12 ' HA ' ' A' 1951 ' ' ILE . 34.5 m -66.98 -29.25 45.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-O 120.891 0.377 . . . . 0.0 111.487 -179.768 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1873 ' ' THR . . . . . . . . . . . . . 97.3 m -72.96 -40.34 65.41 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.65 178.33 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1874 ' ' LYS . . . . . 0.597 ' HG2' ' O ' ' A' 1870 ' ' GLU . 74.5 mmtt -65.84 -39.87 91.2 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.484 178.545 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1875 ' ' SER . . . . . . . . . . . . . 36.1 m -55.62 -18.54 7.99 Favored 'General case' 0 N--CA 1.466 0.357 0 N-CA-C 113.213 0.819 . . . . 0.0 113.213 -172.533 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1876 ' ' ASN . . . . . . . . . . . . . 59.4 m-80 -66.98 -35.52 80.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.912 0.387 . . . . 0.0 110.852 179.438 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1877 ' ' THR . . . . . . . . . . . . . 22.5 p -132.62 -42.36 0.93 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.137 0.494 . . . . 0.0 111.925 -174.07 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1878 ' ' SER . . . . . . . . . . . . . 43.3 m -111.53 97.73 37.72 Favored Pre-proline 0 C--N 1.323 -0.566 0 CA-C-N 115.657 -0.701 . . . . 0.0 111.64 -173.026 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1879 ' ' PRO . . . . . 0.875 ' HA ' HD12 ' A' 1882 ' ' LEU . 61.3 Cg_endo -91.69 -14.07 1.66 Allowed 'Trans proline' 0 N--CA 1.443 -1.461 0 C-N-CA 121.637 1.558 . . . . 0.0 112.631 177.461 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1880 ' ' GLU . . . . . . . . . . . . . 53.4 mm-40 -77.61 -29.04 51.68 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-O 121.185 0.517 . . . . 0.0 109.686 176.832 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1881 ' ' GLU . . . . . . . . . . . . . 19.7 mm-40 -67.25 -14.23 62.72 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.479 -0.782 . . . . 0.0 111.596 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1882 ' ' LEU . . . . . 0.875 HD12 ' HA ' ' A' 1879 ' ' PRO . 0.6 OUTLIER -78.72 -12.61 60.03 Favored 'General case' 0 N--CA 1.442 -0.849 0 CA-C-N 115.936 -0.575 . . . . 0.0 112.002 -177.672 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A 1883 ' ' GLY . . . . . . . . . . . . . . . -63.41 -61.54 6.19 Favored Glycine 0 CA--C 1.519 0.34 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.162 176.238 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1884 ' ' PRO . . . . . . . . . . . . . 13.7 Cg_endo -58.81 -35.83 97.99 Favored 'Trans proline' 0 C--N 1.348 0.52 0 C-N-CA 122.522 2.148 . . . . 0.0 112.47 176.252 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1885 ' ' LEU . . . . . 0.423 ' HB3' ' HG2' ' A' 1871 ' ' MET . 63.1 mt -65.0 -40.2 94.58 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.662 -0.244 . . . . 0.0 111.333 -179.535 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1886 ' ' ALA . . . . . . . . . . . . . . . -61.65 -44.05 97.7 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.167 0.508 . . . . 0.0 110.455 178.099 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1887 ' ' ASN . . . . . . . . . . . . . 94.1 m-20 -66.44 -37.7 85.74 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.49 177.876 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1888 ' ' GLN . . . . . . . . . . . . . 32.6 tp60 -61.88 -48.4 80.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.669 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1889 ' ' LEU . . . . . 0.51 HD12 ' SD ' ' A' 1871 ' ' MET . 1.6 tt -58.94 -42.89 90.88 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.357 0.598 . . . . 0.0 109.472 178.125 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1890 ' ' THR . . . . . . . . . . . . . 90.9 m -61.62 -51.38 68.72 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.18 -0.918 . . . . 0.0 111.659 -178.483 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1891 ' ' SER . . . . . . . . . . . . . 38.6 m -59.81 -46.84 87.98 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.696 -177.113 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1892 ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -67.76 -36.71 80.99 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.446 -178.043 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1893 ' ' TYR . . . . . . . . . . . . . 40.5 t80 -61.98 -36.47 81.57 Favored 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 120.591 -0.443 . . . . 0.0 110.536 177.038 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1894 ' ' GLY . . . . . . . . . . . . . . . -57.46 -38.65 88.18 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.858 -0.687 . . . . 0.0 111.691 177.171 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1895 ' ' ARG . . . . . . . . . . . . . 43.2 ttp-105 -70.6 -45.7 64.81 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.961 0.41 . . . . 0.0 110.098 176.885 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1896 ' ' LEU . . . . . 0.542 HD11 HG11 ' A' 1964 ' ' VAL . 61.3 tp -56.77 -52.28 65.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.608 -0.724 . . . . 0.0 111.508 -179.658 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1897 ' ' ALA . . . . . . . . . . . . . . . -63.91 -24.5 67.76 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.011 -0.541 . . . . 0.0 111.558 -176.811 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1898 ' ' SER . . . . . . . . . . . . . 64.9 m -80.8 -34.3 34.18 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.069 0.461 . . . . 0.0 110.464 -176.137 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1899 ' ' GLN . . . . . 0.425 ' HG3' ' CG2' ' A' 1856 ' ' THR . 16.1 mm100 -72.27 -14.61 61.81 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.681 179.651 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1900 ' ' ALA . . . . . . . . . . . . . . . -68.47 -26.74 65.64 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.859 -0.609 . . . . 0.0 111.494 179.231 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1901 ' ' LYS . . . . . 0.449 ' HB3' ' HD3' ' A' 1902 ' ' PRO . 85.4 tttt -71.06 -57.87 4.5 Favored Pre-proline 0 CA--C 1.538 0.492 0 C-N-CA 121.096 -0.241 . . . . 0.0 111.173 -178.361 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1902 ' ' PRO . . . . . 0.449 ' HD3' ' HB3' ' A' 1901 ' ' LYS . 31.1 Cg_endo -64.79 -32.34 56.34 Favored 'Trans proline' 0 C--N 1.356 0.923 0 C-N-CA 121.843 1.696 . . . . 0.0 112.169 179.076 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1903 ' ' ALA . . . . . . . . . . . . . . . -68.86 -28.66 66.91 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.985 179.562 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1904 ' ' ALA . . . . . 0.419 ' HA ' ' HA2' ' A' 1913 ' ' GLY . . . -78.94 -47.06 17.08 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.97 0.415 . . . . 0.0 110.748 -179.529 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1905 ' ' VAL . . . . . 0.449 HG22 ' HA ' ' A' 1902 ' ' PRO . 34.9 m -72.49 -27.47 26.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.0 -0.546 . . . . 0.0 111.476 -177.324 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1906 ' ' ALA . . . . . . . . . . . . . . . -105.78 21.98 16.35 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.798 0.332 . . . . 0.0 110.78 179.413 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1907 ' ' ALA . . . . . . . . . . . . . . . -74.31 130.63 40.06 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.309 179.843 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1908 ' ' GLU . . . . . . . . . . . . . 12.1 mp0 -55.11 -47.93 74.31 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.575 -0.739 . . . . 0.0 111.935 175.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1909 ' ' ASN . . . . . 0.609 ' HB2' HG13 ' A' 1912 ' ' ILE . 92.1 m-20 -118.8 163.05 17.46 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.443 -171.28 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1910 ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -56.32 -54.32 46.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.226 -0.897 . . . . 0.0 111.326 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1911 ' ' GLU . . . . . 0.509 ' HB3' ' CD2' ' A' 1915 ' ' HIS . 31.5 mt-10 -66.92 -31.52 72.17 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.779 -173.618 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1912 ' ' ILE . . . . . 0.609 HG13 ' HB2' ' A' 1909 ' ' ASN . 43.1 mt -59.09 -54.05 39.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 C-N-CA 121.1 -0.24 . . . . 0.0 110.747 -177.401 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1913 ' ' GLY . . . . . 0.419 ' HA2' ' HA ' ' A' 1904 ' ' ALA . . . -65.55 -31.21 79.4 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.473 -177.701 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1914 ' ' ALA . . . . . . . . . . . . . . . -76.88 -48.91 16.94 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.781 0.324 . . . . 0.0 110.998 -177.695 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1915 ' ' HIS . . . . . 0.627 ' O ' ' HG2' ' A' 1919 ' ' ARG . 60.6 m-70 -59.99 -44.22 94.66 Favored 'General case' 0 CA--C 1.518 -0.257 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.688 -175.334 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1916 ' ' ILE . . . . . 0.46 HG13 ' O ' ' A' 1912 ' ' ILE . 91.6 mt -52.55 -52.42 26.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 O-C-N 123.462 0.476 . . . . 0.0 111.29 -178.781 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1917 ' ' LYS . . . . . . . . . . . . . 56.9 mtmt -66.27 -37.51 85.62 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.293 -177.59 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1918 ' ' HIS . . . . . . . . . . . . . 62.8 m-70 -64.31 -33.4 75.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.816 0.341 . . . . 0.0 111.332 179.103 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1919 ' ' ARG . . . . . 0.627 ' HG2' ' O ' ' A' 1915 ' ' HIS . 26.4 mmt180 -77.69 -47.84 18.21 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.925 -0.31 . . . . 0.0 111.046 -177.063 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1920 ' ' VAL . . . . . . . . . . . . . 34.5 m -66.14 -34.37 69.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 C-N-CA 120.998 -0.281 . . . . 0.0 110.988 -178.785 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1921 ' ' GLN . . . . . . . . . . . . . 53.4 tt0 -62.53 -41.2 98.72 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-O 121.223 0.535 . . . . 0.0 110.105 177.299 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1922 ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -73.89 -35.21 64.66 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.267 178.379 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1923 ' ' LEU . . . . . . . . . . . . . 24.8 mt -59.55 -34.61 72.88 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.409 -0.359 . . . . 0.0 110.442 174.303 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1924 ' ' GLY . . . . . . . . . . . . . . . -57.67 -35.88 75.97 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.881 -0.676 . . . . 0.0 112.26 177.495 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1925 ' ' HIS . . . . . . . . . . . . . 29.7 m170 -78.61 -30.57 46.64 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.998 0.428 . . . . 0.0 110.622 179.686 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1926 ' ' GLY . . . . . . . . . . . . . . . -77.84 -46.29 9.71 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.912 -0.661 . . . . 0.0 112.473 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1927 ' ' CYS . . . . . . . . . . . . . 68.8 m -64.28 -42.25 96.51 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.504 0.192 . . . . 0.0 111.016 -178.595 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1928 ' ' SER . . . . . . . . . . . . . 26.8 p -61.57 -44.92 96.15 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.978 0.418 . . . . 0.0 110.778 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1929 ' ' ALA . . . . . 0.475 ' O ' ' HG2' ' A' 1933 ' ' LYS . . . -62.63 -45.87 90.87 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.588 177.508 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1930 ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.8 -52.4 65.61 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.046 -177.618 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1931 ' ' VAL . . . . . . . . . . . . . 29.1 m -65.23 -28.19 43.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 120.833 0.349 . . . . 0.0 111.243 -176.612 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1932 ' ' THR . . . . . . . . . . . . . 85.7 m -70.5 -41.8 72.17 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.925 0.393 . . . . 0.0 110.21 175.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1933 ' ' LYS . . . . . 0.475 ' HG2' ' O ' ' A' 1929 ' ' ALA . 74.3 mmtt -68.17 -40.57 82.28 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.41 177.611 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1934 ' ' ALA . . . . . 0.495 ' O ' ' HB2' ' A' 1938 ' ' GLN . . . -58.89 -39.8 82.54 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.468 175.608 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1935 ' ' GLY . . . . . . . . . . . . . . . -69.37 -34.23 74.11 Favored Glycine 0 N--CA 1.449 -0.474 0 C-N-CA 120.964 -0.636 . . . . 0.0 112.178 177.686 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1936 ' ' ALA . . . . . . . . . . . . . . . -73.43 -45.35 54.96 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.772 0.32 . . . . 0.0 111.12 -179.497 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1937 ' ' LEU . . . . . 0.499 ' N ' HG21 ' A' 1946 ' ' THR . 37.8 tp -67.48 -24.96 65.65 Favored 'General case' 0 CA--C 1.516 -0.327 0 CA-C-O 121.555 0.693 . . . . 0.0 109.789 178.443 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1938 ' ' GLN . . . . . 0.496 ' HG3' ' O ' ' A' 1879 ' ' PRO . 6.8 tt0 -67.16 -26.9 66.88 Favored 'General case' 0 N--CA 1.444 -0.742 0 CA-C-N 115.029 -0.987 . . . . 0.0 109.8 178.048 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1939 ' ' CYS . . . . . . . . . . . . . 66.2 m -86.17 -43.66 12.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.525 176.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1940 ' ' SER . . . . . . . . . . . . . 14.6 m -114.79 90.11 21.27 Favored Pre-proline 0 C--N 1.325 -0.5 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.331 -179.156 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1941 ' ' PRO . . . . . 0.624 ' HB3' ' HG3' ' A' 1879 ' ' PRO . 40.9 Cg_endo -70.07 -25.16 27.46 Favored 'Trans proline' 0 C--O 1.235 0.336 0 C-N-CA 122.879 2.386 . . . . 0.0 113.362 -174.71 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1942 ' ' SER . . . . . . . . . . . . . 20.1 m -99.74 7.01 45.42 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.746 0.308 . . . . 0.0 111.138 -176.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1943 ' ' ASP . . . . . . . . . . . . . 21.1 t70 -86.64 104.55 16.17 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.137 0.494 . . . . 0.0 109.828 179.15 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1944 ' ' VAL . . . . . . . . . . . . . 9.0 p -69.96 -27.92 34.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 116.046 -0.524 . . . . 0.0 111.047 -175.534 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1945 ' ' TYR . . . . . 0.487 ' O ' ' HG3' ' A' 1949 ' ' GLU . 91.4 m-85 -61.85 -53.59 53.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.939 0.399 . . . . 0.0 110.513 -178.429 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1946 ' ' THR . . . . . 0.499 HG21 ' N ' ' A' 1937 ' ' LEU . 62.8 m -60.85 -40.48 93.05 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.625 178.466 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1947 ' ' LYS . . . . . . . . . . . . . 30.0 ttpt -60.9 -47.58 85.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.165 178.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1948 ' ' LYS . . . . . 0.509 ' HE2' ' HA ' ' A' 1948 ' ' LYS . 7.6 mmpt? -54.22 -49.84 68.52 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.912 179.086 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1949 ' ' GLU . . . . . 0.487 ' HG3' ' O ' ' A' 1945 ' ' TYR . 34.2 mt-10 -57.91 -41.79 83.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.782 -179.612 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1950 ' ' LEU . . . . . 0.713 HD11 HD22 ' A' 1882 ' ' LEU . 6.4 tt -61.32 -49.92 75.07 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.08 179.733 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1951 ' ' ILE . . . . . 0.466 ' HA ' HG12 ' A' 1872 ' ' VAL . 1.8 mp -61.38 -49.11 85.87 Favored 'Isoleucine or valine' 0 C--O 1.235 0.338 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.082 179.383 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1952 ' ' GLU . . . . . 0.562 ' O ' ' HG3' ' A' 1956 ' ' ARG . 45.8 mt-10 -64.4 -33.92 76.97 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.581 -176.846 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1953 ' ' CYS . . . . . . . . . . . . . 35.1 t -72.42 -45.97 57.22 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.731 0.3 . . . . 0.0 110.977 -179.701 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1954 ' ' ALA . . . . . . . . . . . . . . . -64.1 -43.0 96.69 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 112.042 0.386 . . . . 0.0 112.042 -175.312 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1955 ' ' ARG . . . . . 0.465 ' HG2' ' O ' ' A' 1951 ' ' ILE . 8.5 ptp180 -64.71 -24.14 67.47 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.724 0.297 . . . . 0.0 111.196 -179.003 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1956 ' ' ARG . . . . . 0.562 ' HG3' ' O ' ' A' 1952 ' ' GLU . 80.1 mtp180 -78.65 -47.91 16.1 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-O 120.783 0.325 . . . . 0.0 110.739 177.658 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1957 ' ' VAL . . . . . 0.518 ' O ' HG13 ' A' 1961 ' ' VAL . 14.9 m -68.32 -22.87 27.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.555 -174.916 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1958 ' ' SER . . . . . 0.523 ' O ' HG22 ' A' 1961 ' ' VAL . 48.4 t -63.57 -26.1 68.54 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.995 0.426 . . . . 0.0 110.357 177.15 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1959 ' ' GLU . . . . . . . . . . . . . 44.5 mm-40 -82.11 -34.18 29.37 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.043 0.449 . . . . 0.0 110.494 173.429 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1960 ' ' LYS . . . . . . . . . . . . . 34.0 mtpt -68.41 -29.51 68.21 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.26 -178.262 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1961 ' ' VAL . . . . . 0.801 HG21 ' HB2' ' A' 1865 ' ' ALA . 13.9 m -72.55 -33.93 46.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-O 121.202 0.525 . . . . 0.0 110.025 173.363 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1962 ' ' SER . . . . . 0.605 ' HA ' HD12 ' A' 1965 ' ' LEU . 23.5 t -68.94 -24.57 64.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.76 -0.655 . . . . 0.0 109.676 178.627 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1963 ' ' HIS . . . . . . . . . . . . . 55.1 m170 -70.52 -30.89 67.76 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.088 176.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1964 ' ' VAL . . . . . 0.542 HG11 HD11 ' A' 1896 ' ' LEU . 97.4 t -67.24 -46.24 84.48 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.296 0 N-CA-C 108.92 -0.77 . . . . 0.0 108.92 172.499 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1965 ' ' LEU . . . . . 0.605 HD12 ' HA ' ' A' 1962 ' ' SER . 59.9 mt -54.62 -50.23 68.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.049 -0.978 . . . . 0.0 110.7 178.616 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1966 ' ' ALA . . . . . . . . . . . . . . . -69.18 -40.61 78.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.847 -176.826 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1967 ' ' ALA . . . . . . . . . . . . . . . -60.09 -33.65 72.39 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.085 0.469 . . . . 0.0 111.294 -178.683 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1968 ' ' LEU . . . . . 0.887 HD11 ' HG3' ' A' 1857 ' ' MET . 51.7 mt -76.97 -18.08 58.46 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.452 -179.043 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1969 ' ' GLN . . . . . 0.464 ' HG3' ' O ' ' A' 1965 ' ' LEU . 76.7 mt-30 . . . . . 0 C--N 1.324 -0.503 0 CA-C-O 120.856 0.36 . . . . 0.0 111.391 -175.528 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1850 ' ' PHE . . . . . . . . . . . . . 79.1 t80 . . . . . 0 CA--C 1.53 0.207 0 CA-C-O 120.933 0.397 . . . . 0.0 111.393 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A 1851 ' ' VAL . . . . . . . . . . . . . 33.7 m -54.47 -34.9 29.76 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.336 0 N-CA-C 112.804 0.668 . . . . 0.0 112.804 -174.203 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1852 ' ' ASP . . . . . . . . . . . . . 25.7 t70 -68.98 -49.27 59.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.82 0.343 . . . . 0.0 110.735 -178.697 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1853 ' ' TYR . . . . . 0.52 ' O ' ' HG2' ' A' 1857 ' ' MET . 62.0 m-85 -62.21 -37.41 85.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.796 -0.638 . . . . 0.0 109.851 178.116 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1854 ' ' GLN . . . . . 0.601 ' HG3' ' HB3' ' A' 1968 ' ' LEU . 26.5 tt0 -56.1 -51.95 66.08 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.172 -0.922 . . . . 0.0 110.532 174.182 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1855 ' ' THR . . . . . 0.542 ' O ' ' HG2' ' A' 1859 ' ' ARG . 59.0 m -56.08 -44.81 79.34 Favored 'General case' 0 CA--C 1.531 0.235 0 CA-C-N 115.544 -0.753 . . . . 0.0 112.436 -173.583 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1856 ' ' THR . . . . . 0.479 HG23 ' N ' ' A' 1857 ' ' MET . 8.9 t -65.56 -49.4 69.01 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.967 0.413 . . . . 0.0 111.927 -175.274 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1857 ' ' MET . . . . . 0.557 ' HG3' ' CD1' ' A' 1968 ' ' LEU . 6.3 ptm -82.48 -18.69 40.78 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 112.578 0.584 . . . . 0.0 112.578 -172.016 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1858 ' ' VAL . . . . . 0.534 HG13 ' O ' ' A' 1854 ' ' GLN . 33.2 m -67.57 -38.73 81.04 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.305 0 C-N-CA 119.466 -0.894 . . . . 0.0 109.08 171.081 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1859 ' ' ARG . . . . . 0.542 ' HG2' ' O ' ' A' 1855 ' ' THR . 21.0 mmm180 -66.64 -43.92 83.33 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.026 -0.533 . . . . 0.0 109.925 177.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1860 ' ' THR . . . . . 0.478 ' O ' HG13 ' A' 1864 ' ' ILE . 62.3 m -64.37 -42.56 96.12 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.404 -0.816 . . . . 0.0 111.462 -178.487 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1861 ' ' ALA . . . . . . . . . . . . . . . -58.82 -41.35 86.64 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.94 0.4 . . . . 0.0 110.901 179.441 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1862 ' ' LYS . . . . . . . . . . . . . 48.0 mttm -66.04 -38.1 87.55 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.485 178.773 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1863 ' ' ALA . . . . . . . . . . . . . . . -67.47 -36.8 81.85 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.588 -179.575 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1864 ' ' ILE . . . . . 0.478 HG13 ' O ' ' A' 1860 ' ' THR . 70.7 mt -67.53 -43.96 86.84 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.058 175.598 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1865 ' ' ALA . . . . . 0.845 ' HB2' HG21 ' A' 1961 ' ' VAL . . . -57.26 -44.94 84.35 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.885 -178.785 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1866 ' ' VAL . . . . . 0.646 ' HA ' ' HG2' ' A' 1869 ' ' GLN . 10.0 p -71.99 -30.18 35.8 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 C-N-CA 120.564 -0.454 . . . . 0.0 110.603 179.648 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1867 ' ' THR . . . . . . . . . . . . . 97.1 m -69.31 -46.35 67.34 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.732 0.301 . . . . 0.0 110.867 178.577 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1868 ' ' VAL . . . . . . . . . . . . . 32.7 m -66.94 -32.19 56.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-O 120.788 0.328 . . . . 0.0 110.706 -179.369 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1869 ' ' GLN . . . . . 0.646 ' HG2' ' HA ' ' A' 1866 ' ' VAL . 3.0 pt20 -78.65 -27.94 45.34 Favored 'General case' 0 N--CA 1.45 -0.427 0 C-N-CA 120.782 -0.367 . . . . 0.0 110.396 178.693 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1870 ' ' GLU . . . . . . . . . . . . . 29.0 mt-10 -61.77 -37.54 84.71 Favored 'General case' 0 C--O 1.222 -0.347 0 N-CA-C 109.827 -0.435 . . . . 0.0 109.827 171.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1871 ' ' MET . . . . . 0.474 ' HB3' HD21 ' A' 1950 ' ' LEU . 8.1 mtt -55.44 -48.88 73.76 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.948 178.257 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1872 ' ' VAL . . . . . 1.001 ' HB ' HG13 ' A' 1951 ' ' ILE . 1.6 m -70.82 -29.1 36.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-O 121.489 0.661 . . . . 0.0 110.68 -177.347 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1873 ' ' THR . . . . . . . . . . . . . 49.7 m -80.28 -36.93 33.78 Favored 'General case' 0 N--CA 1.441 -0.898 0 CA-C-N 115.072 -0.967 . . . . 0.0 111.619 -177.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1874 ' ' LYS . . . . . . . . . . . . . 68.8 mmtt -74.28 -38.54 63.38 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.091 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1875 ' ' SER . . . . . 0.564 ' HB3' HD11 ' A' 1882 ' ' LEU . 3.9 p -61.53 -10.96 9.07 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 112.431 0.53 . . . . 0.0 112.431 -175.252 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1876 ' ' ASN . . . . . . . . . . . . . 13.7 m120 -61.85 -43.61 98.49 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.93 0.395 . . . . 0.0 110.61 175.285 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1877 ' ' THR . . . . . . . . . . . . . 43.5 p -130.81 -7.75 4.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 0.0 112.191 -174.837 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1878 ' ' SER . . . . . . . . . . . . . 36.2 m -142.25 105.15 5.58 Favored Pre-proline 0 C--N 1.322 -0.591 0 CA-C-N 116.566 -0.288 . . . . 0.0 111.304 -173.401 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1879 ' ' PRO . . . . . 0.829 ' HA ' HD12 ' A' 1882 ' ' LEU . 30.7 Cg_endo -90.88 -24.28 0.46 Allowed 'Trans proline' 0 N--CA 1.448 -1.195 0 C-N-CA 121.705 1.603 . . . . 0.0 112.797 176.356 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1880 ' ' GLU . . . . . . . . . . . . . 44.0 mm-40 -73.09 -30.66 63.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.763 0.316 . . . . 0.0 110.746 -178.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1881 ' ' GLU . . . . . . . . . . . . . 36.8 mm-40 -65.09 -15.18 62.09 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.394 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1882 ' ' LEU . . . . . 0.829 HD12 ' HA ' ' A' 1879 ' ' PRO . 1.0 OUTLIER -78.97 -14.14 59.38 Favored 'General case' 0 N--CA 1.44 -0.926 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.052 -177.553 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A 1883 ' ' GLY . . . . . . . . . . . . . . . -62.25 -60.34 8.08 Favored Glycine 0 CA--C 1.52 0.396 0 C-N-CA 120.918 -0.658 . . . . 0.0 111.898 175.307 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1884 ' ' PRO . . . . . . . . . . . . . 34.8 Cg_exo -58.86 -39.63 79.65 Favored 'Trans proline' 0 C--N 1.349 0.586 0 C-N-CA 122.64 2.227 . . . . 0.0 112.241 174.816 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1885 ' ' LEU . . . . . 0.411 HD23 ' HA ' ' A' 1885 ' ' LEU . 48.2 mt -61.38 -34.95 76.18 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-N 116.597 -0.274 . . . . 0.0 111.312 -179.529 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1886 ' ' ALA . . . . . 0.496 ' HB1' ' HB ' ' A' 1931 ' ' VAL . . . -64.7 -43.46 93.42 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.959 0.409 . . . . 0.0 110.524 177.147 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1887 ' ' ASN . . . . . . . . . . . . . 92.6 m-20 -66.68 -40.27 88.47 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.154 -0.475 . . . . 0.0 109.87 177.279 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1888 ' ' GLN . . . . . . . . . . . . . 53.8 tp60 -58.28 -50.88 72.02 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.39 -0.823 . . . . 0.0 110.974 178.305 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1889 ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -54.99 -52.33 63.43 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 177.356 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1890 ' ' THR . . . . . . . . . . . . . 79.2 m -55.12 -42.11 72.54 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 114.849 -1.069 . . . . 0.0 111.763 -179.646 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1891 ' ' SER . . . . . . . . . . . . . 32.4 m -65.5 -48.69 71.72 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.2 -177.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1892 ' ' ASP . . . . . 0.402 ' HB3' HG12 ' A' 1864 ' ' ILE . 0.4 OUTLIER -71.54 -35.07 70.54 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.563 -0.29 . . . . 0.0 111.437 -178.125 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A 1893 ' ' TYR . . . . . . . . . . . . . 20.9 t80 -58.93 -43.54 91.18 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 110.091 -0.337 . . . . 0.0 110.091 173.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1894 ' ' GLY . . . . . 0.456 ' O ' ' HB2' ' A' 1898 ' ' SER . . . -58.59 -33.85 73.81 Favored Glycine 0 N--CA 1.449 -0.459 0 C-N-CA 121.047 -0.597 . . . . 0.0 112.013 178.048 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1895 ' ' ARG . . . . . . . . . . . . . 45.4 ttm180 -73.85 -45.86 48.48 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.846 0.355 . . . . 0.0 110.206 178.591 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1896 ' ' LEU . . . . . 0.664 HD11 HG11 ' A' 1964 ' ' VAL . 46.1 tp -60.67 -49.72 76.39 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.805 179.262 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1897 ' ' ALA . . . . . . . . . . . . . . . -65.26 -23.07 66.95 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.217 -179.377 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1898 ' ' SER . . . . . 0.456 ' HB2' ' O ' ' A' 1894 ' ' GLY . 9.1 t -79.39 -36.21 39.51 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 109.581 -0.526 . . . . 0.0 109.581 -177.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1899 ' ' GLN . . . . . 0.487 ' HA ' ' OE1' ' A' 1899 ' ' GLN . 8.1 mm-40 -76.33 -13.8 60.13 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.728 179.502 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1900 ' ' ALA . . . . . . . . . . . . . . . -67.93 -22.87 65.04 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.98 178.271 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1901 ' ' LYS . . . . . 0.661 ' HB3' ' HD3' ' A' 1902 ' ' PRO . 11.3 tmtt? -75.08 -57.43 1.76 Allowed Pre-proline 0 CA--C 1.541 0.616 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.861 -178.386 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1902 ' ' PRO . . . . . 0.661 ' HD3' ' HB3' ' A' 1901 ' ' LYS . 15.1 Cg_exo -67.81 -29.5 35.19 Favored 'Trans proline' 0 C--N 1.357 1.013 0 C-N-CA 122.08 1.853 . . . . 0.0 112.239 -178.83 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1903 ' ' ALA . . . . . . . . . . . . . . . -69.12 -34.13 74.56 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.791 179.383 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1904 ' ' ALA . . . . . . . . . . . . . . . -78.14 -38.01 44.77 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.053 -177.804 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1905 ' ' VAL . . . . . 0.527 HG22 ' HA ' ' A' 1902 ' ' PRO . 21.9 m -74.3 -26.55 20.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.365 -177.305 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1906 ' ' ALA . . . . . . . . . . . . . . . -96.94 -3.67 41.35 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.661 0.267 . . . . 0.0 111.04 179.109 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1907 ' ' ALA . . . . . . . . . . . . . . . -57.56 122.01 11.7 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.542 -177.28 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1908 ' ' GLU . . . . . . . . . . . . . 55.9 mp0 -66.31 -18.81 65.58 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.553 -0.749 . . . . 0.0 111.389 -179.511 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1909 ' ' ASN . . . . . 0.73 ' HB3' HG13 ' A' 1912 ' ' ILE . 18.9 t-20 -127.71 154.65 45.08 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.735 -171.063 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1910 ' ' GLU . . . . . . . . . . . . . 15.1 tp10 -56.47 -51.3 68.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.625 177.027 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1911 ' ' GLU . . . . . 0.517 ' HB3' ' CD2' ' A' 1915 ' ' HIS . 7.7 mt-10 -77.14 -31.47 55.69 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.604 -0.726 . . . . 0.0 112.247 -172.197 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1912 ' ' ILE . . . . . 0.73 HG13 ' HB3' ' A' 1909 ' ' ASN . 86.1 mt -52.58 -53.57 19.64 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.351 0 CA-C-O 120.738 0.304 . . . . 0.0 110.526 -179.795 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1913 ' ' GLY . . . . . . . . . . . . . . . -73.48 -29.21 64.21 Favored Glycine 0 N--CA 1.449 -0.477 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.381 -179.426 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1914 ' ' ALA . . . . . . . . . . . . . . . -69.09 -50.88 44.22 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 110.306 -0.257 . . . . 0.0 110.306 -178.546 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1915 ' ' HIS . . . . . 0.619 ' O ' ' HG2' ' A' 1919 ' ' ARG . 76.5 m-70 -56.71 -43.81 80.95 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.964 -177.227 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1916 ' ' ILE . . . . . . . . . . . . . 93.2 mt -55.47 -58.26 5.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.236 179.793 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1917 ' ' LYS . . . . . . . . . . . . . 55.3 mtmt -66.15 -24.66 66.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.338 -178.287 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1918 ' ' HIS . . . . . . . . . . . . . 2.2 m80 -73.5 -39.85 64.53 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.001 0.429 . . . . 0.0 111.09 177.209 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1919 ' ' ARG . . . . . 0.619 ' HG2' ' O ' ' A' 1915 ' ' HIS . 27.2 mmt180 -81.27 -36.44 29.89 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.286 -0.416 . . . . 0.0 112.063 -173.881 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1920 ' ' VAL . . . . . . . . . . . . . 20.8 m -68.84 -23.84 27.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 121.215 0.531 . . . . 0.0 109.844 175.804 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1921 ' ' GLN . . . . . . . . . . . . . 24.0 tm0? -67.71 -35.22 78.38 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.6 -0.727 . . . . 0.0 109.974 177.211 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1922 ' ' GLU . . . . . 0.639 ' HB3' ' HD3' ' A' 1960 ' ' LYS . 45.9 mt-10 -62.26 -48.59 79.27 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.706 0.765 . . . . 0.0 109.794 174.274 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1923 ' ' LEU . . . . . 0.644 ' HG ' ' SG ' ' A' 1927 ' ' CYS . 20.1 tp -65.35 -28.81 69.55 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 114.767 -1.106 . . . . 0.0 111.231 -174.502 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1924 ' ' GLY . . . . . . . . . . . . . . . -54.83 -51.53 52.48 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 121.239 -0.505 . . . . 0.0 112.794 -179.438 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1925 ' ' HIS . . . . . . . . . . . . . 32.5 m170 -70.67 -34.95 72.55 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.812 0.339 . . . . 0.0 110.52 179.562 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1926 ' ' GLY . . . . . 0.423 ' O ' ' HB2' ' A' 1930 ' ' LEU . . . -63.3 -43.2 98.79 Favored Glycine 0 N--CA 1.448 -0.512 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.254 179.441 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1927 ' ' CYS . . . . . 0.644 ' SG ' ' HG ' ' A' 1923 ' ' LEU . 75.6 m -65.46 -46.29 80.39 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.351 0.12 . . . . 0.0 111.175 -178.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1928 ' ' SER . . . . . . . . . . . . . 28.8 p -64.29 -37.65 88.23 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.817 0.341 . . . . 0.0 110.932 -177.16 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1929 ' ' ALA . . . . . . . . . . . . . . . -70.64 -45.54 64.98 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.68 177.556 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1930 ' ' LEU . . . . . 0.423 ' HB2' ' O ' ' A' 1926 ' ' GLY . 0.4 OUTLIER -62.57 -50.3 71.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.432 -177.19 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A 1931 ' ' VAL . . . . . 0.496 ' HB ' ' HB1' ' A' 1886 ' ' ALA . 26.6 m -64.25 -28.02 43.98 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.172 0 CA-C-O 120.866 0.365 . . . . 0.0 111.196 -176.527 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1932 ' ' THR . . . . . . . . . . . . . 75.0 m -71.22 -42.03 69.45 Favored 'General case' 0 N--CA 1.451 -0.391 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.417 176.449 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1933 ' ' LYS . . . . . . . . . . . . . 32.9 mmtp -73.36 -26.96 61.23 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.888 179.163 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1934 ' ' ALA . . . . . . . . . . . . . . . -61.01 -50.15 74.54 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.147 0.499 . . . . 0.0 109.97 174.152 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1935 ' ' GLY . . . . . 0.49 ' O ' ' HG3' ' A' 1938 ' ' GLN . . . -69.7 -30.45 70.67 Favored Glycine 0 N--CA 1.447 -0.596 0 CA-C-N 115.616 -0.72 . . . . 0.0 112.115 177.098 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1936 ' ' ALA . . . . . . . . . . . . . . . -69.66 -39.62 76.96 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.743 0.306 . . . . 0.0 110.93 179.432 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1937 ' ' LEU . . . . . . . . . . . . . 64.9 tp -69.43 -34.26 74.17 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.319 -178.051 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1938 ' ' GLN . . . . . 0.655 ' HB3' ' O ' ' A' 1879 ' ' PRO . 0.0 OUTLIER -72.32 -25.69 61.66 Favored 'General case' 0 C--N 1.321 -0.64 0 C-N-CA 119.649 -0.821 . . . . 0.0 110.505 177.303 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A 1939 ' ' CYS . . . . . . . . . . . . . 74.7 m -76.19 -33.44 59.29 Favored 'General case' 0 CA--C 1.532 0.258 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.802 173.282 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1940 ' ' SER . . . . . . . . . . . . . 33.1 m -129.21 78.61 75.75 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 120.829 0.347 . . . . 0.0 110.536 177.837 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1941 ' ' PRO . . . . . 0.531 ' HB3' ' HG3' ' A' 1879 ' ' PRO . 7.1 Cg_exo -74.81 -24.53 13.16 Favored 'Trans proline' 0 C--N 1.342 0.233 0 C-N-CA 123.179 2.586 . . . . 0.0 112.95 -173.596 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1942 ' ' SER . . . . . . . . . . . . . 20.4 m -84.71 -15.29 45.7 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.762 -177.542 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1943 ' ' ASP . . . . . . . . . . . . . 36.4 t70 -81.65 112.44 18.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.009 -179.711 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1944 ' ' VAL . . . . . . . . . . . . . 8.0 p -71.07 -28.25 32.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.972 -176.204 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1945 ' ' TYR . . . . . 0.425 ' O ' ' HG3' ' A' 1949 ' ' GLU . 95.3 m-85 -69.78 -42.23 74.08 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 111.748 0.277 . . . . 0.0 111.748 -173.817 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1946 ' ' THR . . . . . . . . . . . . . 91.8 m -57.95 -40.24 80.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.17 0.509 . . . . 0.0 110.102 173.389 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1947 ' ' LYS . . . . . 0.434 ' HE2' ' HB3' ' A' 1947 ' ' LYS . 32.4 ttpt -66.43 -45.97 78.08 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.544 177.783 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1948 ' ' LYS . . . . . 0.506 ' O ' ' HG3' ' A' 1952 ' ' GLU . 0.0 OUTLIER -53.38 -53.25 53.89 Favored 'General case' 0 CA--C 1.519 -0.242 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.585 -179.95 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A 1949 ' ' GLU . . . . . 0.425 ' HG3' ' O ' ' A' 1945 ' ' TYR . 35.1 mt-10 -55.76 -38.45 69.86 Favored 'General case' 0 C--O 1.225 -0.192 0 O-C-N 123.73 0.643 . . . . 0.0 111.191 -177.786 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1950 ' ' LEU . . . . . 0.688 HD11 HD22 ' A' 1882 ' ' LEU . 9.7 tt -63.1 -48.84 76.87 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.503 -179.863 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1951 ' ' ILE . . . . . 1.001 HG13 ' HB ' ' A' 1872 ' ' VAL . 1.8 mp -63.04 -40.53 89.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 121.092 0.472 . . . . 0.0 110.027 177.618 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1952 ' ' GLU . . . . . 0.574 ' O ' ' HG3' ' A' 1956 ' ' ARG . 43.4 mt-10 -69.43 -22.48 63.67 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.576 -179.035 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1953 ' ' CYS . . . . . . . . . . . . . 63.8 m -80.16 -43.97 20.68 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.3 177.404 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1954 ' ' ALA . . . . . 0.438 ' HA ' HG22 ' A' 1957 ' ' VAL . . . -59.61 -41.69 90.95 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.099 -179.034 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1955 ' ' ARG . . . . . 0.407 ' HG3' ' O ' ' A' 1952 ' ' GLU . 0.0 OUTLIER -63.01 -24.44 67.92 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.835 0.35 . . . . 0.0 110.949 179.878 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A 1956 ' ' ARG . . . . . 0.574 ' HG3' ' O ' ' A' 1952 ' ' GLU . 97.8 mtt180 -76.29 -48.59 19.62 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.185 0.517 . . . . 0.0 109.883 177.566 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1957 ' ' VAL . . . . . 0.593 ' O ' HG13 ' A' 1961 ' ' VAL . 13.0 m -74.2 -27.87 22.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.833 -0.622 . . . . 0.0 111.868 -173.371 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1958 ' ' SER . . . . . 0.581 ' O ' HG22 ' A' 1961 ' ' VAL . 14.9 m -65.31 -24.62 67.32 Favored 'General case' 0 CA--C 1.531 0.232 0 CA-C-O 121.198 0.523 . . . . 0.0 110.365 179.902 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1959 ' ' GLU . . . . . . . . . . . . . 28.0 mm-40 -80.24 -35.07 36.64 Favored 'General case' 0 CA--C 1.517 -0.326 0 N-CA-C 109.919 -0.4 . . . . 0.0 109.919 173.474 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1960 ' ' LYS . . . . . 0.639 ' HD3' ' HB3' ' A' 1922 ' ' GLU . 67.6 mttm -66.44 -35.11 79.47 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.553 -179.358 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1961 ' ' VAL . . . . . 0.845 HG21 ' HB2' ' A' 1865 ' ' ALA . 3.8 m -67.07 -34.41 69.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 N-CA-C 109.548 -0.538 . . . . 0.0 109.548 174.734 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1962 ' ' SER . . . . . 0.588 ' HA ' HD12 ' A' 1965 ' ' LEU . 35.5 m -73.33 -25.16 60.51 Favored 'General case' 0 N--CA 1.453 -0.319 0 CA-C-N 115.627 -0.715 . . . . 0.0 109.881 178.497 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1963 ' ' HIS . . . . . 0.607 ' HB3' ' HD2' ' A' 1919 ' ' ARG . 63.6 m170 -69.31 -35.08 75.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.179 176.087 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1964 ' ' VAL . . . . . 0.664 HG11 HD11 ' A' 1896 ' ' LEU . 66.5 t -65.75 -44.86 93.05 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.251 0 N-CA-C 108.888 -0.782 . . . . 0.0 108.888 174.511 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1965 ' ' LEU . . . . . 0.588 HD12 ' HA ' ' A' 1962 ' ' SER . 83.0 mt -55.53 -49.67 72.02 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.369 -0.832 . . . . 0.0 110.679 177.439 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1966 ' ' ALA . . . . . . . . . . . . . . . -63.01 -26.83 69.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.697 -179.532 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1967 ' ' ALA . . . . . . . . . . . . . . . -78.72 -34.86 45.64 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.075 0.464 . . . . 0.0 110.932 179.199 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1968 ' ' LEU . . . . . 0.601 ' HB3' ' HG3' ' A' 1854 ' ' GLN . 45.8 mt -79.05 -38.81 35.55 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.804 -0.634 . . . . 0.0 111.194 -176.236 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1969 ' ' GLN . . . . . . . . . . . . . 2.8 mp0 . . . . . 0 C--N 1.328 -0.362 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.291 176.452 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A 1850 ' ' PHE . . . . . . . . . . . . . 72.4 t80 . . . . . 0 N--CA 1.453 -0.276 0 CA-C-O 120.686 0.279 . . . . 0.0 110.74 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A 1851 ' ' VAL . . . . . . . . . . . . . 35.4 m -54.83 -37.6 41.42 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.182 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.995 178.529 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1852 ' ' ASP . . . . . . . . . . . . . 31.7 t70 -72.5 -51.76 18.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.768 0.318 . . . . 0.0 110.425 -177.013 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1853 ' ' TYR . . . . . 0.42 ' O ' ' HG2' ' A' 1857 ' ' MET . 75.1 m-85 -61.0 -40.83 95.0 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.953 179.824 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1854 ' ' GLN . . . . . 0.864 ' HG3' ' HB3' ' A' 1968 ' ' LEU . 6.4 tt0 -56.03 -60.25 3.75 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.812 0.339 . . . . 0.0 110.374 176.27 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1855 ' ' THR . . . . . 0.669 ' O ' ' HG2' ' A' 1859 ' ' ARG . 17.3 m -59.25 -45.96 89.77 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.615 -175.83 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1856 ' ' THR . . . . . . . . . . . . . 2.9 t -63.37 -45.8 89.48 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.846 -172.663 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1857 ' ' MET . . . . . 0.637 ' HB2' HD12 ' A' 1896 ' ' LEU . 22.6 ptm -82.63 -25.3 33.27 Favored 'General case' 0 C--N 1.329 -0.306 0 O-C-N 122.028 -0.42 . . . . 0.0 111.669 -172.501 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1858 ' ' VAL . . . . . 0.469 HG13 ' O ' ' A' 1854 ' ' GLN . 25.7 m -71.45 -31.15 42.06 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.108 0 C-N-CA 119.773 -0.771 . . . . 0.0 109.667 174.515 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1859 ' ' ARG . . . . . 0.669 ' HG2' ' O ' ' A' 1855 ' ' THR . 22.6 mmt180 -68.64 -35.24 77.01 Favored 'General case' 0 C--N 1.333 -0.148 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 173.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1860 ' ' THR . . . . . . . . . . . . . 29.4 m -68.71 -39.51 80.43 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.266 -0.879 . . . . 0.0 110.516 177.805 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1861 ' ' ALA . . . . . 0.414 ' HB1' ' HB ' ' A' 1961 ' ' VAL . . . -62.68 -37.24 85.65 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.085 0.469 . . . . 0.0 110.607 177.218 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1862 ' ' LYS . . . . . 0.428 ' HD2' ' HA ' ' A' 1859 ' ' ARG . 53.8 mttm -66.18 -37.18 84.99 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.415 176.478 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1863 ' ' ALA . . . . . . . . . . . . . . . -63.4 -39.7 95.21 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.208 0.527 . . . . 0.0 110.4 175.767 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1864 ' ' ILE . . . . . 0.637 ' O ' HG13 ' A' 1868 ' ' VAL . 79.6 mt -63.56 -48.41 87.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.031 174.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1865 ' ' ALA . . . . . 0.868 ' HB2' HG21 ' A' 1961 ' ' VAL . . . -57.43 -41.68 80.93 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.92 -0.582 . . . . 0.0 112.376 -177.469 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1866 ' ' VAL . . . . . 0.443 ' O ' ' HG3' ' A' 1870 ' ' GLU . 13.5 p -72.46 -33.15 44.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 C-N-CA 120.644 -0.422 . . . . 0.0 110.361 179.231 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1867 ' ' THR . . . . . 0.652 ' O ' ' HG3' ' A' 1871 ' ' MET . 97.3 m -64.77 -51.44 62.25 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.694 -0.23 . . . . 0.0 110.805 178.224 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1868 ' ' VAL . . . . . 0.637 HG13 ' O ' ' A' 1864 ' ' ILE . 3.2 m -60.5 -29.57 44.81 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.286 0 CA-C-O 121.706 0.765 . . . . 0.0 110.079 -179.319 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1869 ' ' GLN . . . . . . . . . . . . . 7.4 tp-100 -77.34 -33.63 55.36 Favored 'General case' 0 N--CA 1.424 -1.762 0 CA-C-N 114.731 -1.122 . . . . 0.0 110.004 -178.396 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1870 ' ' GLU . . . . . 0.547 ' O ' ' HG2' ' A' 1874 ' ' LYS . 47.8 mt-10 -70.17 -38.72 75.47 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.115 172.682 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1871 ' ' MET . . . . . 0.652 ' HG3' ' O ' ' A' 1867 ' ' THR . 64.5 mtp -57.88 -43.04 85.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.059 -178.157 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1872 ' ' VAL . . . . . 0.55 HG12 ' HA ' ' A' 1951 ' ' ILE . 32.1 m -74.25 -28.85 23.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.801 0.334 . . . . 0.0 111.212 179.05 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1873 ' ' THR . . . . . . . . . . . . . 78.8 m -71.79 -48.71 44.7 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.433 178.202 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1874 ' ' LYS . . . . . 0.547 ' HG2' ' O ' ' A' 1870 ' ' GLU . 75.6 mmtt -66.41 -42.29 88.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.68 -175.827 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1875 ' ' SER . . . . . 0.647 ' HB3' HD11 ' A' 1882 ' ' LEU . 6.2 p -56.56 -14.24 3.0 Favored 'General case' 0 N--CA 1.468 0.461 0 N-CA-C 113.177 0.806 . . . . 0.0 113.177 -171.836 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1876 ' ' ASN . . . . . . . . . . . . . 52.3 m-80 -58.83 -46.33 87.94 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.78 0.324 . . . . 0.0 110.437 174.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1877 ' ' THR . . . . . . . . . . . . . 76.8 p -124.73 -23.89 4.25 Favored 'General case' 0 CA--C 1.534 0.355 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.959 -178.289 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1878 ' ' SER . . . . . 0.466 ' HB2' ' HB3' ' A' 1874 ' ' LYS . 70.5 m -109.27 98.92 33.86 Favored Pre-proline 0 C--N 1.325 -0.471 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.666 -174.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1879 ' ' PRO . . . . . 0.866 ' HA ' HD12 ' A' 1882 ' ' LEU . 33.1 Cg_endo -96.48 -18.88 0.25 Allowed 'Trans proline' 0 N--CA 1.442 -1.51 0 C-N-CA 121.985 1.79 . . . . 0.0 112.295 172.195 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1880 ' ' GLU . . . . . 0.412 ' HA ' ' HG3' ' A' 1938 ' ' GLN . 36.9 mt-10 -80.14 -43.81 20.99 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 121.014 0.435 . . . . 0.0 109.98 178.659 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1881 ' ' GLU . . . . . . . . . . . . . 26.6 tt0 -59.38 -14.61 12.56 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.36 -0.836 . . . . 0.0 111.345 178.581 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1882 ' ' LEU . . . . . 0.866 HD12 ' HA ' ' A' 1879 ' ' PRO . 5.8 mt -70.78 -16.86 62.78 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.287 -0.87 . . . . 0.0 112.112 -179.276 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1883 ' ' GLY . . . . . . . . . . . . . . . -62.95 -60.59 7.44 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.68 -0.771 . . . . 0.0 111.983 176.745 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1884 ' ' PRO . . . . . . . . . . . . . 61.1 Cg_exo -51.92 -44.7 43.45 Favored 'Trans proline' 0 C--N 1.348 0.502 0 C-N-CA 122.594 2.196 . . . . 0.0 112.439 174.652 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1885 ' ' LEU . . . . . 0.536 HD11 ' HG3' ' A' 1874 ' ' LYS . 65.0 mt -60.75 -44.22 96.98 Favored 'General case' 0 C--N 1.332 -0.165 0 N-CA-C 111.893 0.331 . . . . 0.0 111.893 -177.648 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1886 ' ' ALA . . . . . . . . . . . . . . . -61.96 -46.69 88.2 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.086 0.47 . . . . 0.0 110.818 179.632 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1887 ' ' ASN . . . . . . . . . . . . . 43.3 m-80 -68.54 -27.09 65.78 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.682 178.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1888 ' ' GLN . . . . . . . . . . . . . 27.9 tp60 -68.64 -47.08 67.51 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.144 178.056 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1889 ' ' LEU . . . . . 0.506 HD22 ' SG ' ' A' 1927 ' ' CYS . 1.0 OUTLIER -58.29 -45.24 88.31 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.162 -0.681 . . . . 0.0 109.162 175.883 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A 1890 ' ' THR . . . . . . . . . . . . . 33.1 m -57.85 -43.65 86.02 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.229 -0.896 . . . . 0.0 111.249 179.703 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1891 ' ' SER . . . . . . . . . . . . . 29.1 t -62.41 -55.24 29.7 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.589 -178.102 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1892 ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -66.63 -35.27 79.77 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 111.85 0.315 . . . . 0.0 111.85 -175.328 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1893 ' ' TYR . . . . . . . . . . . . . 50.6 t80 -60.55 -37.51 81.49 Favored 'General case' 0 C--N 1.332 -0.19 0 C-N-CA 120.401 -0.519 . . . . 0.0 110.582 177.281 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1894 ' ' GLY . . . . . . . . . . . . . . . -57.85 -41.32 94.05 Favored Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 120.772 -0.728 . . . . 0.0 111.699 178.111 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1895 ' ' ARG . . . . . . . . . . . . . 77.8 ttt180 -66.37 -44.93 81.78 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.957 0.408 . . . . 0.0 110.399 177.032 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1896 ' ' LEU . . . . . 0.637 HD12 ' HB2' ' A' 1857 ' ' MET . 53.4 tp -56.84 -53.36 58.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.745 -0.661 . . . . 0.0 111.035 178.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1897 ' ' ALA . . . . . . . . . . . . . . . -64.57 -23.39 67.25 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.966 -179.515 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1898 ' ' SER . . . . . . . . . . . . . 47.0 t -76.85 -37.81 54.91 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.184 -178.129 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1899 ' ' GLN . . . . . . . . . . . . . 25.5 mm-40 -77.01 -21.27 54.9 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.88 0.371 . . . . 0.0 110.383 179.495 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1900 ' ' ALA . . . . . . . . . . . . . . . -64.28 -31.81 73.15 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.671 -0.695 . . . . 0.0 111.618 -179.157 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1901 ' ' LYS . . . . . 0.674 ' HB3' ' HD3' ' A' 1902 ' ' PRO . 2.0 tmtp? -71.29 -58.17 4.09 Favored Pre-proline 0 CA--C 1.54 0.572 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.261 -175.45 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1902 ' ' PRO . . . . . 0.674 ' HD3' ' HB3' ' A' 1901 ' ' LYS . 11.3 Cg_exo -71.39 -17.45 30.58 Favored 'Trans proline' 0 C--N 1.353 0.805 0 C-N-CA 122.087 1.858 . . . . 0.0 112.197 -177.42 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1903 ' ' ALA . . . . . . . . . . . . . . . -74.61 -35.02 62.94 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.979 0.419 . . . . 0.0 110.347 176.521 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1904 ' ' ALA . . . . . . . . . . . . . . . -73.15 -29.85 63.16 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.658 -177.366 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1905 ' ' VAL . . . . . 0.577 HG22 ' HA ' ' A' 1902 ' ' PRO . 32.6 m -89.93 -12.74 9.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.993 179.166 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1906 ' ' ALA . . . . . . . . . . . . . . . -82.72 -45.18 14.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.27 -0.423 . . . . 0.0 109.912 176.818 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1907 ' ' ALA . . . . . . . . . . . . . . . -67.77 131.29 45.27 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.635 178.427 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1908 ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -91.55 -23.7 19.84 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.46 -178.786 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1909 ' ' ASN . . . . . . . . . . . . . 95.0 m-20 -74.66 135.84 41.92 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.929 -0.397 . . . . 0.0 109.929 177.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1910 ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -56.33 -53.81 52.86 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.483 -0.78 . . . . 0.0 112.617 -170.632 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1911 ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 -72.73 -32.03 65.39 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 112.783 0.661 . . . . 0.0 112.783 -171.502 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1912 ' ' ILE . . . . . 0.528 ' O ' HG13 ' A' 1916 ' ' ILE . 48.6 mt -54.15 -53.99 24.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 C-N-CA 120.741 -0.384 . . . . 0.0 110.513 -179.535 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1913 ' ' GLY . . . . . . . . . . . . . . . -69.79 -27.17 73.54 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.433 -179.283 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1914 ' ' ALA . . . . . . . . . . . . . . . -73.31 -47.52 41.99 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.56 0.219 . . . . 0.0 110.738 -179.038 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1915 ' ' HIS . . . . . 0.453 ' O ' ' HG2' ' A' 1919 ' ' ARG . 71.4 m-70 -59.11 -41.96 89.39 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.122 -177.668 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1916 ' ' ILE . . . . . 0.528 HG13 ' O ' ' A' 1912 ' ' ILE . 81.4 mt -53.93 -59.25 2.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.398 -178.683 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1917 ' ' LYS . . . . . 0.489 ' HA ' HG22 ' A' 1920 ' ' VAL . 8.8 mtmp? -67.88 -27.98 67.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.139 -177.179 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1918 ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -67.18 -39.79 86.46 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.084 177.337 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1919 ' ' ARG . . . . . 0.5 ' CD ' ' HB3' ' A' 1963 ' ' HIS . 29.9 mmt180 -81.53 -34.25 31.31 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 112.095 0.406 . . . . 0.0 112.095 -175.281 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1920 ' ' VAL . . . . . 0.489 HG22 ' HA ' ' A' 1917 ' ' LYS . 33.2 m -68.61 -24.35 29.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 C-N-CA 120.385 -0.526 . . . . 0.0 110.111 176.829 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1921 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.59 -41.0 98.38 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 115.971 -0.558 . . . . 0.0 109.536 175.059 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1922 ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -61.83 -46.36 89.83 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.392 177.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1923 ' ' LEU . . . . . 0.452 HD11 ' HA ' ' A' 1961 ' ' VAL . 19.9 mt -67.72 -23.31 65.25 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.109 178.765 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1924 ' ' GLY . . . . . . . . . . . . . . . -60.48 -51.89 55.96 Favored Glycine 0 N--CA 1.449 -0.45 0 C-N-CA 120.737 -0.744 . . . . 0.0 111.581 175.045 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1925 ' ' HIS . . . . . . . . . . . . . 31.5 m80 -72.63 -28.08 62.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.751 0.31 . . . . 0.0 110.736 178.062 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1926 ' ' GLY . . . . . . . . . . . . . . . -70.68 -46.12 48.71 Favored Glycine 0 N--CA 1.449 -0.456 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.27 178.754 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1927 ' ' CYS . . . . . 0.506 ' SG ' HD22 ' A' 1889 ' ' LEU . 43.7 t -62.1 -50.21 72.85 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.602 0.239 . . . . 0.0 110.421 178.853 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1928 ' ' SER . . . . . 0.426 ' HA ' HG22 ' A' 1931 ' ' VAL . 10.8 p -61.19 -38.61 87.15 Favored 'General case' 0 N--CA 1.452 -0.338 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.081 -178.529 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1929 ' ' ALA . . . . . . . . . . . . . . . -61.59 -49.93 74.64 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.786 0.327 . . . . 0.0 110.623 176.745 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1930 ' ' LEU . . . . . 0.458 HD23 ' HA ' ' A' 1930 ' ' LEU . 10.8 mt -62.53 -49.5 75.08 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.976 -178.74 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1931 ' ' VAL . . . . . 0.426 HG22 ' HA ' ' A' 1928 ' ' SER . 22.8 m -64.76 -31.89 55.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 C-N-CA 120.911 -0.316 . . . . 0.0 111.273 -175.621 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1932 ' ' THR . . . . . . . . . . . . . 63.8 m -71.53 -44.99 63.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.495 -0.321 . . . . 0.0 110.471 177.842 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1933 ' ' LYS . . . . . 0.425 ' HD3' ' HA ' ' A' 1933 ' ' LYS . 70.9 mmtt -71.13 -35.37 71.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.212 -179.774 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1934 ' ' ALA . . . . . . . . . . . . . . . -62.83 -47.85 81.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.858 0.361 . . . . 0.0 110.255 176.338 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1935 ' ' GLY . . . . . . . . . . . . . . . -64.4 -37.61 94.7 Favored Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 120.79 -0.719 . . . . 0.0 111.795 177.071 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1936 ' ' ALA . . . . . . . . . . . . . . . -65.49 -43.76 89.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.646 0.26 . . . . 0.0 110.991 178.312 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1937 ' ' LEU . . . . . 0.405 ' HB2' HG22 ' A' 1946 ' ' THR . 46.8 tp -67.52 -34.67 77.57 Favored 'General case' 0 CA--C 1.513 -0.466 0 CA-C-O 120.882 0.372 . . . . 0.0 110.37 178.73 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1938 ' ' GLN . . . . . 0.412 ' HG3' ' HA ' ' A' 1880 ' ' GLU . 32.2 tt0 -62.05 -31.4 71.81 Favored 'General case' 0 N--CA 1.446 -0.643 0 CA-C-O 121.127 0.489 . . . . 0.0 110.231 179.219 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1939 ' ' CYS . . . . . . . . . . . . . 55.7 m -85.91 -16.98 36.78 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.016 179.378 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1940 ' ' SER . . . . . . . . . . . . . 60.1 m -150.92 78.97 7.17 Favored Pre-proline 0 C--N 1.326 -0.447 0 CA-C-O 120.918 0.39 . . . . 0.0 111.352 -177.845 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1941 ' ' PRO . . . . . . . . . . . . . 11.6 Cg_exo -74.09 -10.65 22.92 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 123.225 2.617 . . . . 0.0 112.033 -179.413 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1942 ' ' SER . . . . . . . . . . . . . 40.9 t -74.82 -23.76 58.52 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.09 178.139 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1943 ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -79.89 110.59 15.4 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.814 -178.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1944 ' ' VAL . . . . . 0.64 ' O ' ' HG3' ' A' 1948 ' ' LYS . 10.4 p -72.62 -32.21 40.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 N-CA-C 109.072 -0.714 . . . . 0.0 109.072 176.644 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1945 ' ' TYR . . . . . 0.495 ' O ' ' HG3' ' A' 1949 ' ' GLU . 49.5 m-85 -58.81 -51.29 70.62 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.307 -0.861 . . . . 0.0 110.101 179.741 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1946 ' ' THR . . . . . 0.405 HG22 ' HB2' ' A' 1937 ' ' LEU . 78.2 m -60.86 -42.15 97.3 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.352 -0.84 . . . . 0.0 111.089 178.595 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1947 ' ' LYS . . . . . . . . . . . . . 36.3 ttpt -63.08 -51.49 66.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.967 -178.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1948 ' ' LYS . . . . . 0.64 ' HG3' ' O ' ' A' 1944 ' ' VAL . 7.4 mtpm? -61.49 -35.92 79.02 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.992 -174.416 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1949 ' ' GLU . . . . . 0.495 ' HG3' ' O ' ' A' 1945 ' ' TYR . 41.5 mt-10 -58.19 -30.03 66.12 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.014 0.435 . . . . 0.0 110.663 178.094 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1950 ' ' LEU . . . . . . . . . . . . . 8.2 tt -70.18 -47.64 60.65 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.974 -0.557 . . . . 0.0 109.512 177.184 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1951 ' ' ILE . . . . . 0.55 ' HA ' HG12 ' A' 1872 ' ' VAL . 3.1 mp -61.0 -50.19 81.63 Favored 'Isoleucine or valine' 0 C--O 1.235 0.327 0 CA-C-O 121.073 0.463 . . . . 0.0 110.418 177.525 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1952 ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -65.08 -23.6 67.21 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.415 -0.811 . . . . 0.0 111.557 -175.855 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1953 ' ' CYS . . . . . . . . . . . . . 47.4 t -86.97 -43.95 11.98 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.557 0.217 . . . . 0.0 111.199 179.669 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1954 ' ' ALA . . . . . 0.494 ' HA ' HG22 ' A' 1957 ' ' VAL . . . -63.11 -40.1 96.64 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 112.266 0.469 . . . . 0.0 112.266 -174.485 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1955 ' ' ARG . . . . . . . . . . . . . 6.9 ppt_? -65.89 -22.98 66.55 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 120.709 -0.396 . . . . 0.0 110.967 178.536 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1956 ' ' ARG . . . . . . . . . . . . . 78.9 mtp180 -81.07 -44.42 18.03 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.22 176.684 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1957 ' ' VAL . . . . . 0.553 ' O ' HG13 ' A' 1961 ' ' VAL . 14.1 m -67.48 -22.61 28.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 C-N-CA 120.994 -0.282 . . . . 0.0 111.168 -177.152 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1958 ' ' SER . . . . . 0.639 ' O ' HG22 ' A' 1961 ' ' VAL . 30.3 t -61.88 -23.99 66.65 Favored 'General case' 0 CA--C 1.534 0.34 0 CA-C-O 121.057 0.456 . . . . 0.0 110.065 175.896 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1959 ' ' GLU . . . . . . . . . . . . . 35.0 mm-40 -80.57 -35.48 34.22 Favored 'General case' 0 C--N 1.327 -0.406 0 O-C-N 122.014 -0.429 . . . . 0.0 110.839 173.882 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1960 ' ' LYS . . . . . . . . . . . . . 93.4 mttt -64.72 -34.17 77.69 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.307 179.846 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1961 ' ' VAL . . . . . 0.868 HG21 ' HB2' ' A' 1865 ' ' ALA . 3.8 m -69.03 -32.85 55.99 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-O 121.076 0.465 . . . . 0.0 109.979 175.726 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1962 ' ' SER . . . . . 0.543 ' HA ' HD12 ' A' 1965 ' ' LEU . 32.7 t -71.56 -26.32 62.58 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-N 115.739 -0.664 . . . . 0.0 109.585 178.433 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1963 ' ' HIS . . . . . 0.5 ' HB3' ' CD ' ' A' 1919 ' ' ARG . 66.8 m170 -69.55 -34.51 74.31 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.711 -0.677 . . . . 0.0 109.992 177.611 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1964 ' ' VAL . . . . . 0.561 HG11 HD11 ' A' 1896 ' ' LEU . 96.3 t -63.37 -44.43 98.99 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.198 0 N-CA-C 109.444 -0.576 . . . . 0.0 109.444 172.827 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1965 ' ' LEU . . . . . 0.543 HD12 ' HA ' ' A' 1962 ' ' SER . 61.0 mt -55.59 -47.7 76.06 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.467 -0.788 . . . . 0.0 110.727 179.596 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1966 ' ' ALA . . . . . . . . . . . . . . . -68.55 -44.77 73.8 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.575 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1967 ' ' ALA . . . . . . . . . . . . . . . -57.74 -47.46 82.38 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.679 -178.214 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1968 ' ' LEU . . . . . 0.864 ' HB3' ' HG3' ' A' 1854 ' ' GLN . 4.4 mm? -72.08 -37.82 69.52 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.441 -177.831 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1969 ' ' GLN . . . . . . . . . . . . . 48.1 mt-30 . . . . . 0 C--N 1.326 -0.44 0 CA-C-O 120.849 0.357 . . . . 0.0 111.166 -178.91 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A 1850 ' ' PHE . . . . . 0.408 ' HA ' ' HD2' ' A' 1853 ' ' TYR . 75.3 t80 . . . . . 0 C--O 1.232 0.149 0 CA-C-O 121.05 0.452 . . . . 0.0 110.444 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1851 ' ' VAL . . . . . . . . . . . . . 26.8 m -59.46 -23.97 26.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.931 -179.154 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1852 ' ' ASP . . . . . . . . . . . . . 33.9 t70 -71.97 -49.77 34.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.768 0.318 . . . . 0.0 110.157 179.224 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1853 ' ' TYR . . . . . 0.614 ' O ' ' HG2' ' A' 1857 ' ' MET . 39.8 m-85 -61.39 -42.81 99.32 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 109.198 -0.667 . . . . 0.0 109.198 176.178 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1854 ' ' GLN . . . . . 0.806 ' HG3' ' HB3' ' A' 1968 ' ' LEU . 27.4 tt0 -48.84 -60.05 3.07 Favored 'General case' 0 CA--C 1.521 -0.146 0 CA-C-N 115.239 -0.892 . . . . 0.0 110.388 174.879 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1855 ' ' THR . . . . . 0.605 ' O ' ' HG2' ' A' 1859 ' ' ARG . 34.8 m -54.69 -37.77 66.19 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.281 -178.501 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1856 ' ' THR . . . . . 0.474 HG22 ' N ' ' A' 1857 ' ' MET . 1.0 OUTLIER -68.01 -57.77 5.6 Favored 'General case' 0 N--CA 1.445 -0.681 0 N-CA-C 112.239 0.459 . . . . 0.0 112.239 -177.576 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A 1857 ' ' MET . . . . . 0.614 ' HG2' ' O ' ' A' 1853 ' ' TYR . 9.6 ptm -78.88 -18.18 54.36 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 111.966 0.358 . . . . 0.0 111.966 -170.648 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1858 ' ' VAL . . . . . 0.414 HG22 ' O ' ' A' 1854 ' ' GLN . 33.6 m -71.73 -33.82 49.87 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.174 0 C-N-CA 119.628 -0.829 . . . . 0.0 109.504 171.257 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1859 ' ' ARG . . . . . 0.605 ' HG2' ' O ' ' A' 1855 ' ' THR . 9.7 mmm180 -65.77 -39.65 91.25 Favored 'General case' 0 CA--C 1.52 -0.189 0 N-CA-C 109.396 -0.594 . . . . 0.0 109.396 173.663 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1860 ' ' THR . . . . . 0.417 HG23 ' HD3' ' A' 1895 ' ' ARG . 6.6 m -61.51 -46.14 91.24 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.503 176.552 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1861 ' ' ALA . . . . . . . . . . . . . . . -59.25 -45.19 91.86 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.842 178.019 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1862 ' ' LYS . . . . . . . . . . . . . 53.9 mttm -62.27 -39.09 91.76 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.527 177.374 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1863 ' ' ALA . . . . . . . . . . . . . . . -65.32 -44.54 87.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.531 178.725 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1864 ' ' ILE . . . . . . . . . . . . . 75.0 mt -61.29 -43.14 95.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 116.228 -0.442 . . . . 0.0 109.949 175.189 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1865 ' ' ALA . . . . . 0.915 ' HB2' HG21 ' A' 1961 ' ' VAL . . . -58.65 -50.07 75.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.655 179.494 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1866 ' ' VAL . . . . . 0.573 ' O ' ' HG3' ' A' 1870 ' ' GLU . 13.3 p -67.89 -32.54 56.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 C-N-CA 120.572 -0.451 . . . . 0.0 110.448 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1867 ' ' THR . . . . . 0.666 ' O ' ' HG3' ' A' 1871 ' ' MET . 91.9 m -65.51 -53.17 46.26 Favored 'General case' 0 N--CA 1.452 -0.328 0 C-N-CA 120.957 -0.297 . . . . 0.0 110.384 177.506 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1868 ' ' VAL . . . . . 0.555 ' HA ' ' SD ' ' A' 1871 ' ' MET . 30.5 m -63.07 -33.85 63.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.785 -177.475 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1869 ' ' GLN . . . . . 0.555 ' O ' HG22 ' A' 1872 ' ' VAL . 2.4 pt20 -76.58 -24.75 53.51 Favored 'General case' 0 N--CA 1.451 -0.401 0 C-N-CA 120.752 -0.379 . . . . 0.0 110.303 179.713 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1870 ' ' GLU . . . . . 0.573 ' HG3' ' O ' ' A' 1866 ' ' VAL . 30.6 mt-10 -70.4 -38.2 74.62 Favored 'General case' 0 CA--C 1.516 -0.347 0 N-CA-C 109.713 -0.477 . . . . 0.0 109.713 172.042 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1871 ' ' MET . . . . . 0.666 ' HG3' ' O ' ' A' 1867 ' ' THR . 39.3 mtp -58.68 -39.76 81.61 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.841 -179.165 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1872 ' ' VAL . . . . . 1.079 ' HB ' HG13 ' A' 1951 ' ' ILE . 1.9 m -73.57 -29.19 26.38 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.301 0 CA-C-O 121.387 0.613 . . . . 0.0 110.642 179.621 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1873 ' ' THR . . . . . . . . . . . . . 54.2 m -80.21 -45.3 18.26 Favored 'General case' 0 C--N 1.315 -0.933 0 CA-C-N 115.194 -0.912 . . . . 0.0 111.097 -177.283 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1874 ' ' LYS . . . . . 0.408 ' HG3' HD11 ' A' 1885 ' ' LEU . 72.3 mmtt -64.68 -40.75 95.93 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.961 -179.005 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1875 ' ' SER . . . . . 0.491 ' HB3' HD11 ' A' 1882 ' ' LEU . 5.5 p -58.64 -16.03 14.32 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 112.861 0.689 . . . . 0.0 112.861 -173.562 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1876 ' ' ASN . . . . . . . . . . . . . 90.7 m-20 -77.66 -16.07 58.76 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 111.488 0.181 . . . . 0.0 111.488 -179.735 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1877 ' ' THR . . . . . . . . . . . . . 13.6 p -141.91 -46.86 0.36 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.299 0.571 . . . . 0.0 111.381 -179.474 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1878 ' ' SER . . . . . . . . . . . . . 73.5 m -110.19 101.55 48.2 Favored Pre-proline 0 C--N 1.321 -0.643 0 CA-C-N 115.466 -0.788 . . . . 0.0 111.442 -176.038 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1879 ' ' PRO . . . . . 0.945 ' HA ' HD12 ' A' 1882 ' ' LEU . 43.3 Cg_endo -88.19 -12.49 4.01 Favored 'Trans proline' 0 N--CA 1.443 -1.473 0 C-N-CA 121.47 1.446 . . . . 0.0 111.37 173.879 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1880 ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -75.69 -39.03 58.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.171 179.224 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1881 ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -67.98 -12.68 61.22 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.299 0.571 . . . . 0.0 110.808 -178.777 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1882 ' ' LEU . . . . . 0.945 HD12 ' HA ' ' A' 1879 ' ' PRO . 0.5 OUTLIER -72.72 -15.84 61.67 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.366 -0.834 . . . . 0.0 112.056 -177.941 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A 1883 ' ' GLY . . . . . . . . . . . . . . . -66.3 -60.83 5.94 Favored Glycine 0 CA--C 1.519 0.29 0 C-N-CA 120.684 -0.77 . . . . 0.0 111.944 177.357 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1884 ' ' PRO . . . . . . . . . . . . . 47.1 Cg_exo -56.8 -36.03 98.4 Favored 'Trans proline' 0 C--N 1.349 0.578 0 C-N-CA 122.599 2.199 . . . . 0.0 112.315 175.718 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1885 ' ' LEU . . . . . 0.408 HD11 ' HG3' ' A' 1874 ' ' LYS . 41.9 mt -64.03 -43.03 96.82 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.597 0.237 . . . . 0.0 111.43 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1886 ' ' ALA . . . . . . . . . . . . . . . -61.55 -45.27 94.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.939 0.4 . . . . 0.0 110.419 177.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1887 ' ' ASN . . . . . . . . . . . . . 34.1 t-20 -63.72 -38.28 90.54 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.985 -0.552 . . . . 0.0 109.814 177.464 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1888 ' ' GLN . . . . . . . . . . . . . 36.0 tp60 -61.31 -49.62 76.29 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.74 -179.721 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1889 ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -57.23 -47.3 81.67 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.399 0.619 . . . . 0.0 109.365 176.801 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1890 ' ' THR . . . . . . . . . . . . . 55.1 m -58.42 -43.94 88.88 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.054 -0.975 . . . . 0.0 111.541 -178.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1891 ' ' SER . . . . . . . . . . . . . 9.1 t -69.79 -40.41 76.03 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.357 -175.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1892 ' ' ASP . . . . . 0.458 ' O ' ' HB3' ' A' 1895 ' ' ARG . 0.5 OUTLIER -79.98 -24.84 40.64 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 112.404 0.52 . . . . 0.0 112.404 -176.699 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A 1893 ' ' TYR . . . . . . . . . . . . . 30.2 t80 -61.2 -44.3 97.51 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 119.938 -0.705 . . . . 0.0 110.224 174.561 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1894 ' ' GLY . . . . . . . . . . . . . . . -59.29 -37.88 92.51 Favored Glycine 0 C--N 1.332 0.353 0 C-N-CA 120.677 -0.773 . . . . 0.0 111.474 177.261 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1895 ' ' ARG . . . . . 0.458 ' HB3' ' O ' ' A' 1892 ' ' ASP . 62.6 ttt180 -58.9 -52.92 63.66 Favored 'General case' 0 C--N 1.325 -0.494 0 C-N-CA 122.886 0.475 . . . . 0.0 110.438 174.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1896 ' ' LEU . . . . . 0.486 HD21 HG21 ' A' 1964 ' ' VAL . 62.1 tp -61.1 -47.54 85.82 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.646 -0.706 . . . . 0.0 111.384 -179.465 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1897 ' ' ALA . . . . . . . . . . . . . . . -64.38 -24.61 67.7 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.872 -176.741 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1898 ' ' SER . . . . . . . . . . . . . 71.2 m -81.93 -27.64 33.21 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.753 0.311 . . . . 0.0 110.655 -177.877 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1899 ' ' GLN . . . . . 0.413 ' HG2' ' O ' ' A' 1895 ' ' ARG . 82.2 mm-40 -79.72 -14.21 58.9 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.329 -179.899 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1900 ' ' ALA . . . . . . . . . . . . . . . -68.23 -27.09 66.06 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.668 -0.697 . . . . 0.0 111.089 179.59 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1901 ' ' LYS . . . . . 0.489 ' HB3' ' HD3' ' A' 1902 ' ' PRO . 78.6 tttt -74.31 -58.58 1.87 Allowed Pre-proline 0 CA--C 1.538 0.516 0 C-N-CA 120.918 -0.313 . . . . 0.0 111.762 -177.697 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1902 ' ' PRO . . . . . 0.489 ' HD3' ' HB3' ' A' 1901 ' ' LYS . 37.9 Cg_endo -66.65 -22.6 50.33 Favored 'Trans proline' 0 C--N 1.357 1.019 0 C-N-CA 121.993 1.795 . . . . 0.0 112.27 -178.2 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1903 ' ' ALA . . . . . . . . . . . . . . . -75.15 -36.61 61.55 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.707 177.698 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1904 ' ' ALA . . . . . . . . . . . . . . . -69.06 -35.05 76.12 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.071 0.462 . . . . 0.0 110.578 -176.007 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1905 ' ' VAL . . . . . . . . . . . . . 31.0 m -85.14 -22.98 7.36 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-N 115.715 -0.675 . . . . 0.0 111.511 -178.495 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1906 ' ' ALA . . . . . . . . . . . . . . . -92.54 -4.96 52.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.88 0.371 . . . . 0.0 111.106 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1907 ' ' ALA . . . . . 0.438 ' HB1' ' HB ' ' A' 1912 ' ' ILE . . . -67.71 144.58 55.39 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.692 178.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1908 ' ' GLU . . . . . . . . . . . . . 16.7 mp0 -77.74 -24.38 49.07 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.575 -178.623 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1909 ' ' ASN . . . . . . . . . . . . . 63.6 m-20 -129.32 157.27 42.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.934 -0.575 . . . . 0.0 111.046 -178.278 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1910 ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -56.36 -54.13 49.13 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.715 -0.675 . . . . 0.0 111.356 178.613 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1911 ' ' GLU . . . . . . . . . . . . . 30.5 mt-10 -60.28 -39.24 86.2 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.718 -0.674 . . . . 0.0 111.843 -172.683 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1912 ' ' ILE . . . . . 0.502 ' O ' HG13 ' A' 1916 ' ' ILE . 63.4 mt -54.53 -53.2 33.21 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 O-C-N 123.267 0.354 . . . . 0.0 110.282 -179.071 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1913 ' ' GLY . . . . . . . . . . . . . . . -74.01 -31.49 59.79 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.812 -0.709 . . . . 0.0 112.432 -179.34 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1914 ' ' ALA . . . . . 0.431 ' O ' ' HD2' ' A' 1918 ' ' HIS . . . -68.81 -49.25 60.12 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.762 0.315 . . . . 0.0 110.382 -178.898 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1915 ' ' HIS . . . . . 0.652 ' O ' ' HG2' ' A' 1919 ' ' ARG . 66.2 m-70 -55.17 -42.78 73.59 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.574 -179.051 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1916 ' ' ILE . . . . . 0.502 HG13 ' O ' ' A' 1912 ' ' ILE . 96.1 mt -52.25 -53.11 20.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 115.729 -0.669 . . . . 0.0 111.109 178.061 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1917 ' ' LYS . . . . . . . . . . . . . 52.2 mtmt -67.72 -28.3 67.54 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.785 -0.643 . . . . 0.0 111.715 -175.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1918 ' ' HIS . . . . . 0.431 ' HD2' ' O ' ' A' 1914 ' ' ALA . 87.2 m-70 -74.08 -36.86 64.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.911 0.386 . . . . 0.0 110.518 176.841 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1919 ' ' ARG . . . . . 0.652 ' HG2' ' O ' ' A' 1915 ' ' HIS . 25.1 mmt180 -73.06 -40.79 64.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.688 -176.037 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1920 ' ' VAL . . . . . . . . . . . . . 27.6 m -68.06 -24.23 29.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 121.204 0.526 . . . . 0.0 110.21 177.23 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1921 ' ' GLN . . . . . . . . . . . . . 48.5 tp60 -70.24 -33.72 71.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.787 -0.642 . . . . 0.0 109.968 177.868 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1922 ' ' GLU . . . . . 0.427 ' HB3' ' HG2' ' A' 1960 ' ' LYS . 39.4 mt-10 -62.22 -46.01 90.8 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 121.203 0.525 . . . . 0.0 110.237 176.098 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1923 ' ' LEU . . . . . 0.574 ' HG ' ' HB3' ' A' 1960 ' ' LYS . 25.2 mt -65.93 -23.23 66.58 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.54 -0.755 . . . . 0.0 111.905 -177.903 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1924 ' ' GLY . . . . . . . . . . . . . . . -53.97 -52.91 39.99 Favored Glycine 0 C--O 1.23 -0.15 0 C-N-CA 120.89 -0.672 . . . . 0.0 112.673 -179.284 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1925 ' ' HIS . . . . . . . . . . . . . 31.1 m80 -79.41 -21.09 46.08 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.816 0.341 . . . . 0.0 110.891 -178.693 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1926 ' ' GLY . . . . . . . . . . . . . . . -76.62 -44.11 16.86 Favored Glycine 0 N--CA 1.449 -0.444 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.513 -178.474 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1927 ' ' CYS . . . . . . . . . . . . . 60.2 m -65.48 -43.74 89.29 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.644 0.259 . . . . 0.0 110.611 -179.268 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1928 ' ' SER . . . . . . . . . . . . . 21.0 p -62.94 -39.39 94.47 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.13 -178.045 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1929 ' ' ALA . . . . . . . . . . . . . . . -67.93 -41.81 82.01 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.817 178.46 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1930 ' ' LEU . . . . . 0.516 ' HG ' ' HB3' ' A' 1953 ' ' CYS . 0.4 OUTLIER -66.0 -50.86 62.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.898 -177.389 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A 1931 ' ' VAL . . . . . . . . . . . . . 33.0 m -62.34 -27.97 43.71 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.17 0 CA-C-O 120.792 0.33 . . . . 0.0 111.136 -176.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1932 ' ' THR . . . . . . . . . . . . . 89.5 m -66.43 -46.59 75.98 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.376 175.424 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1933 ' ' LYS . . . . . . . . . . . . . 32.9 mmtp -72.04 -31.33 66.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.979 -178.555 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1934 ' ' ALA . . . . . . . . . . . . . . . -59.15 -50.2 74.96 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.97 0.414 . . . . 0.0 110.194 174.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1935 ' ' GLY . . . . . . . . . . . . . . . -67.82 -39.36 89.83 Favored Glycine 0 N--CA 1.448 -0.522 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.145 177.655 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1936 ' ' ALA . . . . . . . . . . . . . . . -61.07 -46.75 89.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.559 0.218 . . . . 0.0 111.186 179.569 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1937 ' ' LEU . . . . . 0.431 ' HB2' HG22 ' A' 1946 ' ' THR . 25.2 tp -67.12 -35.13 79.08 Favored 'General case' 0 CA--C 1.511 -0.537 0 CA-C-O 120.918 0.389 . . . . 0.0 110.412 178.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1938 ' ' GLN . . . . . 0.428 ' HG3' ' O ' ' A' 1879 ' ' PRO . 35.4 tt0 -62.19 -31.53 72.06 Favored 'General case' 0 N--CA 1.444 -0.732 0 CA-C-O 121.285 0.564 . . . . 0.0 110.022 179.54 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1939 ' ' CYS . . . . . . . . . . . . . 56.2 m -86.35 -17.45 34.46 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.007 178.297 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1940 ' ' SER . . . . . . . . . . . . . 6.4 m -136.01 72.81 60.31 Favored Pre-proline 0 C--N 1.326 -0.415 0 CA-C-N 116.589 -0.278 . . . . 0.0 110.808 -177.165 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1941 ' ' PRO . . . . . . . . . . . . . 11.8 Cg_exo -72.32 -14.13 28.19 Favored 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.836 2.357 . . . . 0.0 112.425 -176.205 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1942 ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -90.4 -1.42 57.91 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.431 -179.706 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1943 ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -104.63 106.38 16.85 Favored 'General case' 0 CA--C 1.516 -0.347 0 CA-C-O 121.075 0.464 . . . . 0.0 111.349 179.759 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1944 ' ' VAL . . . . . 0.431 ' O ' ' HG2' ' A' 1948 ' ' LYS . 9.4 p -69.25 -25.21 28.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.028 177.553 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1945 ' ' TYR . . . . . . . . . . . . . 84.9 m-85 -55.21 -46.9 75.92 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.344 -0.844 . . . . 0.0 110.846 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1946 ' ' THR . . . . . 0.431 HG22 ' HB2' ' A' 1937 ' ' LEU . 32.8 m -68.56 -38.37 80.7 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.693 179.56 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1947 ' ' LYS . . . . . . . . . . . . . 13.6 ttpp -63.14 -43.31 98.7 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.56 -178.481 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1948 ' ' LYS . . . . . 0.431 ' HG2' ' O ' ' A' 1944 ' ' VAL . 7.5 mmpt? -53.13 -51.66 61.22 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 121.11 0.481 . . . . 0.0 110.532 -179.843 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1949 ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 -64.94 -28.96 69.88 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.289 -0.869 . . . . 0.0 111.537 -175.864 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1950 ' ' LEU . . . . . 0.483 HD11 HD22 ' A' 1882 ' ' LEU . 6.2 tt -64.45 -52.12 59.65 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.533 -0.543 . . . . 0.0 109.533 178.363 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1951 ' ' ILE . . . . . 1.079 HG13 ' HB ' ' A' 1872 ' ' VAL . 2.0 mp -62.81 -44.45 99.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 115.976 -0.556 . . . . 0.0 109.996 177.122 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1952 ' ' GLU . . . . . . . . . . . . . 24.2 mm-40 -56.2 -38.0 70.4 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.762 -0.654 . . . . 0.0 112.042 179.718 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1953 ' ' CYS . . . . . 0.516 ' HB3' ' HG ' ' A' 1930 ' ' LEU . 9.1 t -75.89 -38.92 57.33 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 120.646 0.26 . . . . 0.0 110.819 -177.626 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1954 ' ' ALA . . . . . 0.57 ' HA ' HG22 ' A' 1957 ' ' VAL . . . -66.5 -44.12 83.48 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 111.805 0.298 . . . . 0.0 111.805 -176.88 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1955 ' ' ARG . . . . . 0.45 ' HG2' ' O ' ' A' 1951 ' ' ILE . 3.7 ptp180 -62.82 -24.41 67.75 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.114 0.483 . . . . 0.0 110.733 178.616 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1956 ' ' ARG . . . . . . . . . . . . . 65.2 mtp180 -80.22 -48.46 13.07 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.877 176.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1957 ' ' VAL . . . . . 0.57 HG22 ' HA ' ' A' 1954 ' ' ALA . 20.6 m -67.26 -29.05 44.56 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 C-N-CA 121.038 -0.265 . . . . 0.0 111.551 -176.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1958 ' ' SER . . . . . 0.702 ' O ' HG22 ' A' 1961 ' ' VAL . 20.4 t -64.84 -23.97 67.4 Favored 'General case' 0 CA--C 1.532 0.282 0 CA-C-O 121.039 0.447 . . . . 0.0 110.258 178.74 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1959 ' ' GLU . . . . . . . . . . . . . 78.5 mm-40 -71.26 -39.34 71.65 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 121.739 -0.6 . . . . 0.0 109.997 173.096 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1960 ' ' LYS . . . . . 0.574 ' HB3' ' HG ' ' A' 1923 ' ' LEU . 2.9 mptp? -66.78 -35.53 80.28 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.551 179.614 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1961 ' ' VAL . . . . . 0.915 HG21 ' HB2' ' A' 1865 ' ' ALA . 2.4 m -67.03 -32.79 59.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 N-CA-C 109.365 -0.605 . . . . 0.0 109.365 175.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1962 ' ' SER . . . . . 0.552 ' HA ' HD12 ' A' 1965 ' ' LEU . 42.8 m -71.87 -26.57 62.4 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-N 115.598 -0.728 . . . . 0.0 109.927 176.188 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1963 ' ' HIS . . . . . 0.531 ' HB3' ' CD ' ' A' 1919 ' ' ARG . 65.9 m170 -70.55 -32.5 69.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.006 176.268 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1964 ' ' VAL . . . . . 0.486 HG21 HD21 ' A' 1896 ' ' LEU . 95.5 t -65.21 -43.75 95.36 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.144 0 N-CA-C 108.946 -0.761 . . . . 0.0 108.946 173.521 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1965 ' ' LEU . . . . . 0.552 HD12 ' HA ' ' A' 1962 ' ' SER . 65.8 mt -59.45 -33.79 71.72 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.239 -0.892 . . . . 0.0 110.809 177.672 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1966 ' ' ALA . . . . . . . . . . . . . . . -76.81 -48.02 19.77 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.345 179.585 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1967 ' ' ALA . . . . . . . . . . . . . . . -60.99 -46.34 91.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.917 -177.15 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1968 ' ' LEU . . . . . 0.806 ' HB3' ' HG3' ' A' 1854 ' ' GLN . 4.2 mm? -67.43 -32.14 72.8 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.764 0.316 . . . . 0.0 111.535 -177.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1969 ' ' GLN . . . . . . . . . . . . . 48.6 mt-30 . . . . . 0 C--N 1.324 -0.534 0 CA-C-O 120.989 0.424 . . . . 0.0 110.905 -178.227 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A 1850 ' ' PHE . . . . . . . . . . . . . 77.5 t80 . . . . . 0 C--O 1.232 0.175 0 CA-C-O 121.145 0.498 . . . . 0.0 110.374 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A 1851 ' ' VAL . . . . . . . . . . . . . 13.4 m -57.0 -33.76 43.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 115.414 -0.812 . . . . 0.0 111.636 -178.438 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1852 ' ' ASP . . . . . . . . . . . . . 31.0 t70 -73.12 -48.89 31.79 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.708 -178.114 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1853 ' ' TYR . . . . . 0.442 ' CE1' ' HB2' ' A' 1902 ' ' PRO . 50.5 m-85 -63.8 -41.57 97.89 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.079 -179.79 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1854 ' ' GLN . . . . . 0.847 ' HG3' ' HB3' ' A' 1968 ' ' LEU . 32.5 tt0 -55.24 -57.57 11.24 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.322 176.348 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1855 ' ' THR . . . . . 0.623 ' O ' ' HG2' ' A' 1859 ' ' ARG . 46.1 m -58.63 -30.07 66.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.342 -178.81 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1856 ' ' THR . . . . . 0.438 HG22 ' N ' ' A' 1857 ' ' MET . 1.2 m -69.26 -58.61 3.82 Favored 'General case' 0 N--CA 1.442 -0.833 0 N-CA-C 112.201 0.445 . . . . 0.0 112.201 -178.78 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1857 ' ' MET . . . . . 0.73 ' HG3' HD21 ' A' 1968 ' ' LEU . 5.5 ptm -79.31 -17.04 55.37 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 112.115 0.413 . . . . 0.0 112.115 -169.04 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1858 ' ' VAL . . . . . 0.536 ' O ' ' HG3' ' A' 1862 ' ' LYS . 35.6 m -66.22 -33.63 64.8 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.164 0 C-N-CA 119.991 -0.684 . . . . 0.0 109.915 172.377 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1859 ' ' ARG . . . . . 0.623 ' HG2' ' O ' ' A' 1855 ' ' THR . 17.3 mmt180 -68.98 -42.02 77.11 Favored 'General case' 0 CA--C 1.518 -0.286 0 N-CA-C 109.087 -0.709 . . . . 0.0 109.087 178.343 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1860 ' ' THR . . . . . 0.449 HG21 ' HB2' ' A' 1896 ' ' LEU . 28.4 m -59.61 -44.4 93.43 Favored 'General case' 0 N--CA 1.448 -0.549 0 CA-C-N 115.078 -0.964 . . . . 0.0 110.993 177.516 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1861 ' ' ALA . . . . . 0.451 ' HB1' ' HB ' ' A' 1961 ' ' VAL . . . -57.74 -41.79 82.58 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.618 177.383 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1862 ' ' LYS . . . . . 0.536 ' HG3' ' O ' ' A' 1858 ' ' VAL . 56.9 mttm -65.51 -43.41 90.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.593 178.545 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1863 ' ' ALA . . . . . . . . . . . . . . . -64.58 -36.48 84.37 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.891 179.057 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1864 ' ' ILE . . . . . 0.622 ' O ' HG13 ' A' 1868 ' ' VAL . 69.1 mt -66.81 -48.47 79.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 116.512 -0.313 . . . . 0.0 110.323 175.877 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1865 ' ' ALA . . . . . 0.768 ' HB2' HG21 ' A' 1961 ' ' VAL . . . -57.75 -43.94 85.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.205 -0.452 . . . . 0.0 112.162 -177.185 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1866 ' ' VAL . . . . . 0.501 ' O ' ' HG3' ' A' 1870 ' ' GLU . 12.7 p -66.96 -33.96 66.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 C-N-CA 120.84 -0.344 . . . . 0.0 110.524 179.537 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1867 ' ' THR . . . . . 0.648 ' O ' ' HG3' ' A' 1871 ' ' MET . 85.5 m -67.8 -52.43 37.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.372 -0.377 . . . . 0.0 110.9 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1868 ' ' VAL . . . . . 0.622 HG13 ' O ' ' A' 1864 ' ' ILE . 3.2 m -61.05 -29.67 46.16 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.245 0 CA-C-O 121.566 0.698 . . . . 0.0 110.445 -178.194 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1869 ' ' GLN . . . . . . . . . . . . . 7.6 tp-100 -74.98 -29.89 61.03 Favored 'General case' 0 N--CA 1.425 -1.698 0 CA-C-N 114.787 -1.097 . . . . 0.0 110.191 -178.845 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1870 ' ' GLU . . . . . 0.501 ' HG3' ' O ' ' A' 1866 ' ' VAL . 48.6 mt-10 -74.35 -42.45 59.36 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.195 -0.457 . . . . 0.0 109.903 172.468 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1871 ' ' MET . . . . . 0.648 ' HG3' ' O ' ' A' 1867 ' ' THR . 59.0 mtp -55.46 -42.71 74.67 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.934 -0.575 . . . . 0.0 111.178 -177.056 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1872 ' ' VAL . . . . . 0.597 HG12 ' HA ' ' A' 1951 ' ' ILE . 28.3 m -74.23 -28.49 23.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-O 120.764 0.316 . . . . 0.0 111.756 178.512 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1873 ' ' THR . . . . . . . . . . . . . 94.6 m -74.07 -42.89 59.48 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.05 0.452 . . . . 0.0 110.638 178.286 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1874 ' ' LYS . . . . . 0.493 ' HG2' ' O ' ' A' 1870 ' ' GLU . 74.3 mmtt -66.14 -50.39 64.12 Favored 'General case' 0 C--O 1.221 -0.422 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.137 -178.578 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1875 ' ' SER . . . . . 0.535 ' HB2' ' HG3' ' A' 1947 ' ' LYS . 4.1 p -53.99 -20.53 6.42 Favored 'General case' 0 N--CA 1.468 0.431 0 N-CA-C 113.444 0.905 . . . . 0.0 113.444 -170.646 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1876 ' ' ASN . . . . . . . . . . . . . 86.1 m-20 -63.27 -31.9 73.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.803 0.335 . . . . 0.0 111.287 178.325 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1877 ' ' THR . . . . . . . . . . . . . 35.2 p -137.05 -37.95 0.64 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.128 0.489 . . . . 0.0 111.877 -176.426 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1878 ' ' SER . . . . . . . . . . . . . 51.4 m -109.13 99.59 36.57 Favored Pre-proline 0 C--N 1.322 -0.611 0 CA-C-N 115.608 -0.724 . . . . 0.0 111.089 -177.114 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1879 ' ' PRO . . . . . 0.833 ' HA ' HD12 ' A' 1882 ' ' LEU . 50.3 Cg_endo -89.16 -12.47 3.29 Favored 'Trans proline' 0 N--CA 1.443 -1.465 0 C-N-CA 121.776 1.651 . . . . 0.0 112.666 178.429 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1880 ' ' GLU . . . . . 0.544 ' HA ' ' HG2' ' A' 1938 ' ' GLN . 41.9 mt-10 -95.28 -23.24 17.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.665 0.269 . . . . 0.0 111.338 -177.009 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1881 ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -67.42 -13.11 61.73 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-O 121.091 0.472 . . . . 0.0 110.716 174.727 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1882 ' ' LEU . . . . . 0.833 HD12 ' HA ' ' A' 1879 ' ' PRO . 1.7 mt -76.93 -16.39 59.38 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.695 -0.684 . . . . 0.0 112.244 -178.184 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1883 ' ' GLY . . . . . . . . . . . . . . . -56.59 -61.31 7.63 Favored Glycine 0 CA--C 1.52 0.369 0 C-N-CA 120.833 -0.698 . . . . 0.0 112.526 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1884 ' ' PRO . . . . . . . . . . . . . 18.9 Cg_endo -60.9 -31.41 91.53 Favored 'Trans proline' 0 C--N 1.344 0.327 0 C-N-CA 122.541 2.161 . . . . 0.0 112.497 176.777 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1885 ' ' LEU . . . . . 0.439 ' HB3' ' HG2' ' A' 1871 ' ' MET . 86.0 mt -66.66 -41.25 88.46 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.615 -0.266 . . . . 0.0 111.217 -178.354 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1886 ' ' ALA . . . . . . . . . . . . . . . -62.8 -45.74 91.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.111 0.482 . . . . 0.0 110.617 178.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1887 ' ' ASN . . . . . . . . . . . . . 44.3 t30 -66.71 -35.06 79.25 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.846 -0.616 . . . . 0.0 110.474 178.265 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1888 ' ' GLN . . . . . . . . . . . . . 19.2 tp60 -64.54 -49.52 70.91 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.56 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1889 ' ' LEU . . . . . 0.515 HD12 ' SD ' ' A' 1871 ' ' MET . 1.3 tt -57.79 -46.82 84.09 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 109.453 -0.573 . . . . 0.0 109.453 177.48 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1890 ' ' THR . . . . . . . . . . . . . 85.8 m -57.57 -44.6 85.41 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.279 -0.873 . . . . 0.0 111.492 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1891 ' ' SER . . . . . . . . . . . . . 53.7 m -61.92 -50.28 72.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.496 -178.169 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1892 ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -64.78 -42.38 95.14 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.595 -0.275 . . . . 0.0 111.417 -178.605 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1893 ' ' TYR . . . . . . . . . . . . . 55.3 t80 -57.41 -34.72 69.2 Favored 'General case' 0 C--O 1.233 0.214 0 C-N-CA 120.674 -0.411 . . . . 0.0 110.884 179.179 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1894 ' ' GLY . . . . . . . . . . . . . . . -54.15 -42.36 72.14 Favored Glycine 0 N--CA 1.449 -0.444 0 C-N-CA 120.932 -0.651 . . . . 0.0 111.86 176.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1895 ' ' ARG . . . . . . . . . . . . . 8.0 mpt_? -68.34 -48.84 63.76 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.932 0.396 . . . . 0.0 110.124 178.065 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1896 ' ' LEU . . . . . 0.449 ' HB2' HG21 ' A' 1860 ' ' THR . 58.2 tp -54.3 -50.62 66.9 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.559 -0.746 . . . . 0.0 111.526 -178.728 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1897 ' ' ALA . . . . . . . . . . . . . . . -67.0 -25.73 66.45 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.561 -177.42 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1898 ' ' SER . . . . . . . . . . . . . 62.6 m -81.53 -45.04 16.49 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.811 0.339 . . . . 0.0 110.67 -176.14 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1899 ' ' GLN . . . . . 0.797 ' HA ' HE21 ' A' 1899 ' ' GLN . 0.0 OUTLIER -68.27 -13.03 61.95 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.924 -178.213 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A 1900 ' ' ALA . . . . . . . . . . . . . . . -67.62 -27.16 66.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.049 178.029 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1901 ' ' LYS . . . . . 0.72 ' HB3' ' HD3' ' A' 1902 ' ' PRO . 23.0 tptm -70.08 -57.12 6.44 Favored Pre-proline 0 CA--C 1.538 0.503 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.407 -178.827 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1902 ' ' PRO . . . . . 0.72 ' HD3' ' HB3' ' A' 1901 ' ' LYS . 14.6 Cg_exo -68.98 -25.06 32.59 Favored 'Trans proline' 0 C--N 1.357 1.019 0 C-N-CA 122.104 1.869 . . . . 0.0 112.046 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1903 ' ' ALA . . . . . . . . . . . . . . . -70.95 -31.61 68.24 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.429 -0.351 . . . . 0.0 110.824 178.204 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1904 ' ' ALA . . . . . . . . . . . . . . . -75.03 -37.7 61.67 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.932 0.396 . . . . 0.0 110.721 -177.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1905 ' ' VAL . . . . . 0.473 HG22 ' HA ' ' A' 1902 ' ' PRO . 33.1 m -81.27 -13.31 12.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.618 -177.17 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1906 ' ' ALA . . . . . . . . . . . . . . . -104.43 3.4 32.16 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.876 0.369 . . . . 0.0 111.081 179.735 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1907 ' ' ALA . . . . . . . . . . . . . . . -89.22 119.52 29.79 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.884 -179.158 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1908 ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -63.06 -29.62 70.96 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.515 179.434 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1909 ' ' ASN . . . . . 0.565 ' HB2' HG13 ' A' 1912 ' ' ILE . 0.9 OUTLIER -95.18 134.69 37.64 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.838 0.351 . . . . 0.0 110.709 -178.907 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A 1910 ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -53.65 -49.59 67.6 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.194 -0.912 . . . . 0.0 111.222 179.192 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1911 ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -73.05 -30.94 64.09 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.811 -0.631 . . . . 0.0 112.298 -173.774 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1912 ' ' ILE . . . . . 0.622 ' O ' HG13 ' A' 1916 ' ' ILE . 51.9 mt -55.18 -54.21 26.86 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.33 0 C-N-CA 120.568 -0.453 . . . . 0.0 110.335 -179.603 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1913 ' ' GLY . . . . . . . . . . . . . . . -64.75 -36.38 93.05 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.407 -178.558 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1914 ' ' ALA . . . . . . . . . . . . . . . -69.1 -41.15 77.84 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.622 0.249 . . . . 0.0 110.49 -178.644 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1915 ' ' HIS . . . . . 0.574 ' O ' ' HG2' ' A' 1919 ' ' ARG . 61.5 m-70 -63.83 -40.49 96.74 Favored 'General case' 0 CA--C 1.517 -0.299 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.836 -179.71 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1916 ' ' ILE . . . . . 0.622 HG13 ' O ' ' A' 1912 ' ' ILE . 76.5 mt -55.42 -57.0 8.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 121.183 0.516 . . . . 0.0 110.427 178.118 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1917 ' ' LYS . . . . . 0.476 ' HA ' HG22 ' A' 1920 ' ' VAL . 19.8 mtpp -64.0 -29.83 70.96 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.375 -0.83 . . . . 0.0 111.031 -179.106 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1918 ' ' HIS . . . . . . . . . . . . . 39.1 t-80 -68.44 -44.95 73.8 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.19 177.739 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1919 ' ' ARG . . . . . 0.574 ' HG2' ' O ' ' A' 1915 ' ' HIS . 29.3 mmt180 -74.0 -33.21 63.73 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.49 -175.536 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1920 ' ' VAL . . . . . 0.476 HG22 ' HA ' ' A' 1917 ' ' LYS . 33.2 m -72.6 -28.51 28.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 C-N-CA 120.535 -0.466 . . . . 0.0 110.7 177.617 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1921 ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -69.77 -40.24 76.21 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 108.27 -1.011 . . . . 0.0 108.27 172.412 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1922 ' ' GLU . . . . . 0.538 ' HG2' ' HD3' ' A' 1960 ' ' LYS . 35.7 tt0 -66.87 -49.05 66.9 Favored 'General case' 0 N--CA 1.444 -0.742 0 CA-C-N 114.045 -1.434 . . . . 0.0 109.199 -175.325 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1923 ' ' LEU . . . . . 0.489 ' HG ' ' HB2' ' A' 1960 ' ' LYS . 1.1 tt -68.65 -37.8 79.94 Favored 'General case' 0 N--CA 1.444 -0.733 0 CA-C-N 114.554 -1.203 . . . . 0.0 109.559 177.313 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1924 ' ' GLY . . . . . . . . . . . . . . . -55.57 -55.28 29.48 Favored Glycine 0 N--CA 1.452 -0.261 0 CA-C-N 115.809 -0.632 . . . . 0.0 113.706 -177.219 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1925 ' ' HIS . . . . . . . . . . . . . 6.0 p-80 -70.13 -20.17 63.18 Favored 'General case' 0 C--N 1.324 -0.51 0 C-N-CA 120.383 -0.527 . . . . 0.0 110.547 -179.437 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1926 ' ' GLY . . . . . . . . . . . . . . . -77.35 -48.49 8.12 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.897 -0.668 . . . . 0.0 112.288 176.896 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1927 ' ' CYS . . . . . 0.419 ' HB2' HD22 ' A' 1889 ' ' LEU . 28.6 p -70.49 -35.87 73.49 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.719 0.295 . . . . 0.0 110.637 -178.827 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1928 ' ' SER . . . . . . . . . . . . . 24.7 t -62.9 -39.09 93.43 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.114 177.229 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1929 ' ' ALA . . . . . . . . . . . . . . . -69.1 -36.97 78.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.133 0.492 . . . . 0.0 110.159 176.169 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1930 ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -62.51 -53.16 58.81 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.492 -0.776 . . . . 0.0 110.28 179.306 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1931 ' ' VAL . . . . . . . . . . . . . 34.7 m -63.94 -29.5 47.46 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.163 0 N-CA-C 111.728 0.27 . . . . 0.0 111.728 -175.831 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1932 ' ' THR . . . . . . . . . . . . . 73.4 m -62.88 -45.43 92.57 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.076 0.465 . . . . 0.0 110.076 174.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1933 ' ' LYS . . . . . . . . . . . . . 32.2 mmtp -75.5 -34.67 60.85 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.537 -179.714 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1934 ' ' ALA . . . . . . . . . . . . . . . -60.41 -46.22 90.79 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.449 -0.342 . . . . 0.0 110.439 176.208 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1935 ' ' GLY . . . . . . . . . . . . . . . -67.92 -36.8 87.2 Favored Glycine 0 N--CA 1.448 -0.509 0 C-N-CA 120.793 -0.718 . . . . 0.0 111.978 177.143 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1936 ' ' ALA . . . . . . . . . . . . . . . -64.32 -47.24 80.17 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.671 0.272 . . . . 0.0 111.239 178.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1937 ' ' LEU . . . . . 0.539 ' HB2' HG22 ' A' 1946 ' ' THR . 55.5 tp -69.08 -27.91 66.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.274 0.559 . . . . 0.0 110.267 179.28 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1938 ' ' GLN . . . . . 0.544 ' HG2' ' HA ' ' A' 1880 ' ' GLU . 0.3 OUTLIER -69.92 -34.42 73.45 Favored 'General case' 0 N--CA 1.445 -0.708 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.098 179.803 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A 1939 ' ' CYS . . . . . . . . . . . . . 55.8 m -86.11 -34.75 20.54 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.872 -0.603 . . . . 0.0 110.482 177.545 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1940 ' ' SER . . . . . . . . . . . . . 51.1 m -119.55 85.05 31.39 Favored Pre-proline 0 C--N 1.325 -0.484 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.295 -179.713 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1941 ' ' PRO . . . . . 0.617 ' HB3' ' HG3' ' A' 1879 ' ' PRO . 12.8 Cg_exo -72.71 -13.03 26.99 Favored 'Trans proline' 0 N--CA 1.465 -0.16 0 C-N-CA 122.94 2.427 . . . . 0.0 112.086 179.152 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1942 ' ' SER . . . . . . . . . . . . . 56.8 m -90.89 8.88 32.78 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.989 -0.551 . . . . 0.0 111.209 -179.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1943 ' ' ASP . . . . . . . . . . . . . 13.0 t70 -113.1 97.66 6.65 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.918 0.39 . . . . 0.0 110.256 178.216 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1944 ' ' VAL . . . . . . . . . . . . . 8.0 p -72.65 -22.6 20.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.051 -175.533 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1945 ' ' TYR . . . . . 0.467 ' O ' ' HG3' ' A' 1949 ' ' GLU . 85.6 m-85 -66.97 -40.7 87.51 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.068 -0.515 . . . . 0.0 109.925 -178.809 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1946 ' ' THR . . . . . 0.539 HG22 ' HB2' ' A' 1937 ' ' LEU . 89.4 m -58.58 -41.24 85.3 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.516 -0.765 . . . . 0.0 110.209 173.82 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1947 ' ' LYS . . . . . 0.535 ' HG3' ' HB2' ' A' 1875 ' ' SER . 30.4 ttpt -63.12 -44.32 95.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.782 -0.644 . . . . 0.0 110.415 179.031 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1948 ' ' LYS . . . . . 0.493 ' HE2' ' HA ' ' A' 1948 ' ' LYS . 8.8 mmpt? -55.76 -51.12 68.48 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.545 179.76 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1949 ' ' GLU . . . . . 0.467 ' HG3' ' O ' ' A' 1945 ' ' TYR . 24.9 mt-10 -66.02 -28.62 69.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.109 -177.122 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1950 ' ' LEU . . . . . 0.591 HD11 HD22 ' A' 1882 ' ' LEU . 7.5 tt -61.83 -52.03 65.81 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.518 -0.549 . . . . 0.0 109.518 176.684 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1951 ' ' ILE . . . . . 0.597 ' HA ' HG12 ' A' 1872 ' ' VAL . 1.9 mp -63.49 -44.18 98.67 Favored 'Isoleucine or valine' 0 C--O 1.235 0.322 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.442 177.483 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1952 ' ' GLU . . . . . . . . . . . . . 28.7 mm-40 -64.81 -24.69 67.63 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.883 -0.599 . . . . 0.0 112.084 -177.591 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1953 ' ' CYS . . . . . . . . . . . . . 7.4 t -88.47 -42.92 11.81 Favored 'General case' 0 C--N 1.323 -0.547 0 C-N-CA 120.999 -0.28 . . . . 0.0 110.55 179.538 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1954 ' ' ALA . . . . . 0.406 ' O ' HG22 ' A' 1957 ' ' VAL . . . -62.07 -37.28 84.41 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.641 -177.482 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1955 ' ' ARG . . . . . . . . . . . . . 8.3 ptp180 -59.39 -26.95 65.56 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.984 0.421 . . . . 0.0 110.835 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1956 ' ' ARG . . . . . 0.645 ' O ' ' HG3' ' A' 1960 ' ' LYS . 27.9 mtt180 -81.7 -31.79 31.99 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.674 -176.796 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1957 ' ' VAL . . . . . 0.535 ' O ' HG13 ' A' 1961 ' ' VAL . 5.0 m -83.61 -23.51 8.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 C-N-CA 120.591 -0.444 . . . . 0.0 111.326 -175.36 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1958 ' ' SER . . . . . 0.66 ' O ' HG22 ' A' 1961 ' ' VAL . 18.7 m -59.7 -34.66 73.18 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-O 120.968 0.413 . . . . 0.0 110.979 179.522 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1959 ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -81.35 -26.25 35.7 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.704 0.288 . . . . 0.0 110.638 176.531 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1960 ' ' LYS . . . . . 0.645 ' HG3' ' O ' ' A' 1956 ' ' ARG . 57.9 mttm -67.96 -30.62 69.95 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.616 -0.266 . . . . 0.0 110.506 -179.554 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1961 ' ' VAL . . . . . 0.768 HG21 ' HB2' ' A' 1865 ' ' ALA . 2.5 m -65.35 -35.68 75.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 N-CA-C 109.095 -0.705 . . . . 0.0 109.095 175.026 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1962 ' ' SER . . . . . 0.596 ' HA ' HD12 ' A' 1965 ' ' LEU . 50.5 m -71.58 -24.66 61.95 Favored 'General case' 0 N--CA 1.45 -0.45 0 CA-C-N 114.93 -1.032 . . . . 0.0 110.186 177.487 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1963 ' ' HIS . . . . . 0.5 ' HB3' ' CD ' ' A' 1919 ' ' ARG . 59.0 m170 -73.83 -33.16 64.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.294 178.881 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1964 ' ' VAL . . . . . . . . . . . . . 96.4 t -66.38 -41.0 88.08 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.22 0 N-CA-C 109.188 -0.671 . . . . 0.0 109.188 174.1 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1965 ' ' LEU . . . . . 0.596 HD12 ' HA ' ' A' 1962 ' ' SER . 66.7 mt -58.69 -50.11 75.1 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.269 -0.878 . . . . 0.0 110.57 177.6 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1966 ' ' ALA . . . . . . . . . . . . . . . -68.71 -38.53 80.32 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.955 -0.566 . . . . 0.0 112.264 -176.16 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1967 ' ' ALA . . . . . . . . . . . . . . . -61.14 -41.15 96.22 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-O 121.202 0.525 . . . . 0.0 111.173 178.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1968 ' ' LEU . . . . . 0.847 ' HB3' ' HG3' ' A' 1854 ' ' GLN . 4.9 mp -71.78 -39.6 69.82 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.714 -0.675 . . . . 0.0 111.217 -179.479 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1969 ' ' GLN . . . . . . . . . . . . . 66.9 mt-30 . . . . . 0 C--N 1.321 -0.631 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.546 -178.053 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A 1850 ' ' PHE . . . . . 0.413 ' HA ' ' HD1' ' A' 1853 ' ' TYR . 87.2 t80 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.698 0.285 . . . . 0.0 111.207 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1851 ' ' VAL . . . . . . . . . . . . . 23.2 m -52.94 -35.02 21.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.159 -0.473 . . . . 0.0 112.215 -179.278 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1852 ' ' ASP . . . . . . . . . . . . . 32.2 t70 -78.04 -45.55 23.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.025 0.441 . . . . 0.0 110.619 -179.795 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1853 ' ' TYR . . . . . 0.595 ' O ' ' HG3' ' A' 1857 ' ' MET . 75.9 m-85 -61.29 -36.72 80.85 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.364 -179.874 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1854 ' ' GLN . . . . . 0.828 ' HG3' ' HB3' ' A' 1968 ' ' LEU . 23.9 tt0 -62.81 -57.69 10.0 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.507 174.751 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1855 ' ' THR . . . . . 0.539 ' O ' ' HG2' ' A' 1859 ' ' ARG . 30.6 m -57.55 -41.52 81.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.877 -173.873 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1856 ' ' THR . . . . . 0.477 HG22 ' O ' ' A' 1853 ' ' TYR . 13.8 t -60.3 -41.58 93.72 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.739 0.305 . . . . 0.0 111.416 -176.246 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1857 ' ' MET . . . . . 0.738 ' HG2' ' HB2' ' A' 1899 ' ' GLN . 4.0 mtp -82.55 -31.2 29.22 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 120.688 -0.405 . . . . 0.0 110.874 -175.605 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1858 ' ' VAL . . . . . 0.483 HG13 ' O ' ' A' 1854 ' ' GLN . 15.1 m -66.48 -35.28 74.5 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.283 0 C-N-CA 120.109 -0.636 . . . . 0.0 110.077 178.145 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1859 ' ' ARG . . . . . 0.539 ' HG2' ' O ' ' A' 1855 ' ' THR . 22.0 mmm180 -64.22 -37.68 88.35 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 121.225 0.536 . . . . 0.0 109.66 175.489 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1860 ' ' THR . . . . . 0.519 ' O ' HG13 ' A' 1864 ' ' ILE . 30.7 m -70.78 -45.29 64.95 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.262 -0.881 . . . . 0.0 111.075 -179.687 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1861 ' ' ALA . . . . . 0.424 ' HB1' ' HB ' ' A' 1961 ' ' VAL . . . -60.03 -41.47 92.3 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.19 -179.185 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1862 ' ' LYS . . . . . . . . . . . . . 54.8 mttm -67.1 -28.97 68.61 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.638 178.389 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1863 ' ' ALA . . . . . 0.407 ' O ' HG12 ' A' 1866 ' ' VAL . . . -73.85 -37.68 64.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.35 176.566 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1864 ' ' ILE . . . . . 0.832 HG12 ' HB3' ' A' 1892 ' ' ASP . 61.6 mt -64.26 -43.15 97.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-O 121.092 0.472 . . . . 0.0 110.013 175.413 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1865 ' ' ALA . . . . . 0.76 ' HB2' HG21 ' A' 1961 ' ' VAL . . . -58.06 -46.58 85.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.537 -0.756 . . . . 0.0 112.068 -177.462 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1866 ' ' VAL . . . . . 0.407 HG12 ' O ' ' A' 1863 ' ' ALA . 11.6 p -64.21 -34.33 68.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 C-N-CA 120.597 -0.441 . . . . 0.0 110.606 -178.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1867 ' ' THR . . . . . 0.715 ' O ' ' HG3' ' A' 1871 ' ' MET . 68.9 m -65.43 -51.82 57.54 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.552 -0.294 . . . . 0.0 110.832 178.222 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1868 ' ' VAL . . . . . 0.494 HG13 ' O ' ' A' 1864 ' ' ILE . 4.7 m -65.96 -32.2 57.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-O 121.375 0.607 . . . . 0.0 110.854 -176.686 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1869 ' ' GLN . . . . . 0.419 ' HB3' ' O ' ' A' 1865 ' ' ALA . 0.0 OUTLIER -72.34 -31.24 65.47 Favored 'General case' 0 N--CA 1.443 -0.811 0 CA-C-N 115.37 -0.832 . . . . 0.0 109.695 177.894 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A 1870 ' ' GLU . . . . . 0.617 ' O ' ' HG2' ' A' 1874 ' ' LYS . 23.5 mt-10 -66.95 -47.8 70.54 Favored 'General case' 0 C--O 1.22 -0.448 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.2 170.477 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1871 ' ' MET . . . . . 0.715 ' HG3' ' O ' ' A' 1867 ' ' THR . 59.7 mtp -52.81 -42.59 65.25 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.904 -174.547 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1872 ' ' VAL . . . . . 0.591 HG12 ' HA ' ' A' 1951 ' ' ILE . 29.5 m -70.43 -35.83 63.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 C-N-CA 120.797 -0.361 . . . . 0.0 111.231 178.757 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1873 ' ' THR . . . . . . . . . . . . . 94.6 m -70.08 -40.03 75.24 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 121.35 0.595 . . . . 0.0 110.463 178.412 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1874 ' ' LYS . . . . . 0.617 ' HG2' ' O ' ' A' 1870 ' ' GLU . 31.2 mmtp -74.97 -17.51 60.53 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.522 -0.763 . . . . 0.0 111.353 -176.092 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1875 ' ' SER . . . . . 0.415 ' HA ' HD11 ' A' 1882 ' ' LEU . 85.2 p -63.48 -16.28 60.22 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.166 0.507 . . . . 0.0 110.916 -179.144 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1876 ' ' ASN . . . . . . . . . . . . . 77.2 m-20 -85.52 -60.53 2.0 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.258 -178.121 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1877 ' ' THR . . . . . . . . . . . . . 33.6 p -118.19 2.52 11.99 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 112.678 0.621 . . . . 0.0 112.678 -171.834 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1878 ' ' SER . . . . . 0.476 ' HB3' ' HG2' ' A' 1881 ' ' GLU . 66.6 m -141.8 54.87 4.34 Favored Pre-proline 0 C--N 1.324 -0.534 0 N-CA-C 112.857 0.688 . . . . 0.0 112.857 -172.379 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1879 ' ' PRO . . . . . 0.978 ' HA ' HD12 ' A' 1882 ' ' LEU . 87.1 Cg_endo -78.8 -4.03 13.71 Favored 'Trans proline' 0 N--CA 1.454 -0.82 0 C-N-CA 121.028 1.152 . . . . 0.0 111.779 -177.506 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1880 ' ' GLU . . . . . . . . . . . . . 20.5 mm-40 -79.6 -45.08 19.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.006 178.629 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1881 ' ' GLU . . . . . 0.476 ' HG2' ' HB3' ' A' 1878 ' ' SER . 11.4 pt-20 -77.04 -11.83 59.86 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-O 121.142 0.496 . . . . 0.0 111.175 -178.284 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1882 ' ' LEU . . . . . 0.978 HD12 ' HA ' ' A' 1879 ' ' PRO . 1.9 mt -60.29 -27.37 67.23 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.603 -0.726 . . . . 0.0 112.25 179.594 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1883 ' ' GLY . . . . . . . . . . . . . . . -62.29 -60.77 7.41 Favored Glycine 0 CA--C 1.519 0.332 0 C-N-CA 120.519 -0.848 . . . . 0.0 111.747 174.764 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1884 ' ' PRO . . . . . . . . . . . . . 53.6 Cg_exo -50.19 -39.72 51.8 Favored 'Trans proline' 0 C--N 1.345 0.386 0 C-N-CA 122.791 2.327 . . . . 0.0 112.609 172.279 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1885 ' ' LEU . . . . . . . . . . . . . 33.7 mt -63.83 -36.82 85.16 Favored 'General case' 0 C--O 1.231 0.09 0 CA-C-O 120.643 0.259 . . . . 0.0 111.209 179.785 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1886 ' ' ALA . . . . . . . . . . . . . . . -65.27 -42.08 93.58 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.193 0.521 . . . . 0.0 110.343 176.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1887 ' ' ASN . . . . . . . . . . . . . 6.8 m-20 -65.42 -37.45 86.97 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.331 0.586 . . . . 0.0 109.762 176.656 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1888 ' ' GLN . . . . . . . . . . . . . 59.5 tp60 -62.11 -48.83 78.41 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.104 -0.953 . . . . 0.0 110.583 178.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1889 ' ' LEU . . . . . 0.415 HD12 ' SD ' ' A' 1871 ' ' MET . 0.5 OUTLIER -58.68 -43.25 89.89 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.291 0.567 . . . . 0.0 109.541 177.799 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A 1890 ' ' THR . . . . . . . . . . . . . 76.4 m -60.4 -40.09 89.72 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.34 -0.846 . . . . 0.0 111.077 178.647 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1891 ' ' SER . . . . . . . . . . . . . 30.3 t -71.59 -47.32 55.54 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.794 179.204 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1892 ' ' ASP . . . . . 0.832 ' HB3' HG12 ' A' 1864 ' ' ILE . 17.5 m-20 -59.12 -41.94 89.4 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.571 -178.167 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1893 ' ' TYR . . . . . . . . . . . . . 42.7 t80 -61.92 -40.29 94.98 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 120.909 -0.316 . . . . 0.0 111.104 -179.491 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1894 ' ' GLY . . . . . . . . . . . . . . . -57.74 -42.95 94.69 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.831 -0.7 . . . . 0.0 111.876 179.323 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1895 ' ' ARG . . . . . . . . . . . . . 67.3 ttt180 -61.17 -44.21 97.67 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.096 0.474 . . . . 0.0 110.457 178.223 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1896 ' ' LEU . . . . . 0.781 HD11 HG11 ' A' 1964 ' ' VAL . 43.7 tp -64.3 -57.28 9.86 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.751 -0.659 . . . . 0.0 111.724 -178.137 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1897 ' ' ALA . . . . . . . . . . . . . . . -60.32 -23.2 64.03 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.718 -0.674 . . . . 0.0 112.357 -173.229 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1898 ' ' SER . . . . . . . . . . . . . 55.6 m -80.91 -24.42 38.23 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 121.085 0.469 . . . . 0.0 110.752 -172.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1899 ' ' GLN . . . . . 0.738 ' HB2' ' HG2' ' A' 1857 ' ' MET . 0.0 OUTLIER -84.1 -11.3 56.87 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.204 -179.778 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A 1900 ' ' ALA . . . . . . . . . . . . . . . -69.06 -30.75 69.15 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.043 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1901 ' ' LYS . . . . . 0.654 ' HB3' ' HD3' ' A' 1902 ' ' PRO . 8.2 tmtt? -64.53 -57.0 18.58 Favored Pre-proline 0 CA--C 1.538 0.507 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.597 -178.759 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1902 ' ' PRO . . . . . 0.654 ' HD3' ' HB3' ' A' 1901 ' ' LYS . 15.6 Cg_exo -69.03 -30.44 25.68 Favored 'Trans proline' 0 C--N 1.354 0.863 0 C-N-CA 121.871 1.714 . . . . 0.0 112.345 179.834 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1903 ' ' ALA . . . . . . . . . . . . . . . -66.38 -36.26 82.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.835 0.35 . . . . 0.0 111.344 -178.773 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1904 ' ' ALA . . . . . . . . . . . . . . . -70.14 -32.11 69.94 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.767 -175.576 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1905 ' ' VAL . . . . . . . . . . . . . 34.1 m -94.57 -7.31 10.03 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.471 -176.29 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1906 ' ' ALA . . . . . . . . . . . . . . . -100.98 -7.59 23.19 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.815 0.34 . . . . 0.0 111.252 -179.518 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1907 ' ' ALA . . . . . . . . . . . . . . . -84.82 144.97 28.1 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.55 179.699 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1908 ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -86.25 -12.44 49.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.162 178.14 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1909 ' ' ASN . . . . . 0.511 ' HB3' HG13 ' A' 1912 ' ' ILE . 50.1 t-20 -109.96 131.75 54.77 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 109.822 -0.436 . . . . 0.0 109.822 -179.091 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1910 ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -53.31 -52.16 60.02 Favored 'General case' 0 C--N 1.328 -0.341 0 O-C-N 123.877 0.735 . . . . 0.0 111.474 179.487 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1911 ' ' GLU . . . . . . . . . . . . . 13.0 mt-10 -66.13 -31.93 73.08 Favored 'General case' 0 N--CA 1.448 -0.55 0 CA-C-N 115.734 -0.666 . . . . 0.0 112.133 -171.67 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1912 ' ' ILE . . . . . 0.563 ' O ' HG13 ' A' 1916 ' ' ILE . 63.7 mt -57.84 -53.69 41.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 C-N-CA 120.61 -0.436 . . . . 0.0 110.093 179.125 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1913 ' ' GLY . . . . . . . . . . . . . . . -67.13 -29.05 73.98 Favored Glycine 0 N--CA 1.449 -0.487 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.175 -179.359 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1914 ' ' ALA . . . . . . . . . . . . . . . -74.38 -48.61 26.85 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.656 0.265 . . . . 0.0 110.856 -178.645 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1915 ' ' HIS . . . . . . . . . . . . . 70.1 m-70 -59.42 -38.9 81.83 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.317 -177.048 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1916 ' ' ILE . . . . . 0.563 HG13 ' O ' ' A' 1912 ' ' ILE . 82.9 mt -53.02 -55.62 11.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.967 178.708 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1917 ' ' LYS . . . . . 0.442 ' HA ' HG22 ' A' 1920 ' ' VAL . 48.4 mtmt -67.25 -24.65 65.82 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.8 -0.636 . . . . 0.0 112.032 -176.109 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1918 ' ' HIS . . . . . . . . . . . . . 74.4 m-70 -78.13 -34.96 49.62 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.039 0.447 . . . . 0.0 110.858 177.633 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1919 ' ' ARG . . . . . 0.481 ' CD ' ' HB3' ' A' 1963 ' ' HIS . 24.7 mmt180 -81.01 -32.95 33.97 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.848 -176.554 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1920 ' ' VAL . . . . . 0.442 HG22 ' HA ' ' A' 1917 ' ' LYS . 35.5 m -70.27 -24.35 25.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 C-N-CA 120.51 -0.476 . . . . 0.0 110.057 175.869 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1921 ' ' GLN . . . . . . . . . . . . . 30.2 tt0 -66.06 -36.38 83.06 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.091 -0.504 . . . . 0.0 109.947 175.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1922 ' ' GLU . . . . . 0.96 ' HB3' ' HD3' ' A' 1960 ' ' LYS . 33.4 mt-10 -58.26 -52.7 64.46 Favored 'General case' 0 CA--C 1.521 -0.164 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.251 175.104 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1923 ' ' LEU . . . . . 0.414 ' CD2' ' HB ' ' A' 1957 ' ' VAL . 69.8 mt -65.35 -23.71 67.06 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.411 -0.813 . . . . 0.0 111.33 -179.54 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1924 ' ' GLY . . . . . . . . . . . . . . . -63.09 -53.52 39.64 Favored Glycine 0 N--CA 1.448 -0.549 0 C-N-CA 120.719 -0.753 . . . . 0.0 111.739 176.325 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1925 ' ' HIS . . . . . . . . . . . . . 38.6 m80 -74.65 -30.48 61.63 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.838 0.352 . . . . 0.0 110.351 179.817 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1926 ' ' GLY . . . . . . . . . . . . . . . -67.39 -41.46 90.94 Favored Glycine 0 N--CA 1.448 -0.518 0 C-N-CA 120.867 -0.683 . . . . 0.0 112.151 177.274 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1927 ' ' CYS . . . . . . . . . . . . . 52.6 t -62.61 -52.27 64.01 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 110.426 -0.213 . . . . 0.0 110.426 179.057 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1928 ' ' SER . . . . . . . . . . . . . 10.4 p -60.33 -35.92 76.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.905 0.383 . . . . 0.0 111.121 -178.203 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1929 ' ' ALA . . . . . . . . . . . . . . . -68.78 -50.91 46.49 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.705 177.36 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1930 ' ' LEU . . . . . 0.549 HD11 ' HB2' ' A' 1954 ' ' ALA . 0.6 OUTLIER -62.57 -48.07 81.06 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.76 -0.654 . . . . 0.0 111.102 -175.84 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A 1931 ' ' VAL . . . . . . . . . . . . . 22.9 m -64.96 -27.87 43.43 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-O 120.726 0.298 . . . . 0.0 111.457 -176.272 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1932 ' ' THR . . . . . . . . . . . . . 89.0 m -71.91 -43.49 65.25 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.993 0.425 . . . . 0.0 110.06 175.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1933 ' ' LYS . . . . . . . . . . . . . 31.7 mmtp -69.33 -37.25 77.62 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.661 179.711 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1934 ' ' ALA . . . . . 0.416 ' HA ' HD12 ' A' 1950 ' ' LEU . . . -62.67 -46.93 85.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.741 176.253 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1935 ' ' GLY . . . . . . . . . . . . . . . -63.92 -40.1 97.97 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.889 -0.672 . . . . 0.0 111.907 178.293 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1936 ' ' ALA . . . . . . . . . . . . . . . -65.15 -37.15 86.48 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.771 0.32 . . . . 0.0 111.214 178.446 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1937 ' ' LEU . . . . . 0.507 ' HB2' HG22 ' A' 1946 ' ' THR . 49.1 tp -71.96 -31.62 66.48 Favored 'General case' 0 CA--C 1.515 -0.367 0 CA-C-O 120.826 0.346 . . . . 0.0 110.473 179.342 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1938 ' ' GLN . . . . . 0.588 ' HG3' ' O ' ' A' 1879 ' ' PRO . 5.2 tt0 -68.88 -26.31 65.06 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.373 0.606 . . . . 0.0 109.423 178.017 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1939 ' ' CYS . . . . . . . . . . . . . 49.5 t -81.25 -40.53 23.6 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.491 175.896 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1940 ' ' SER . . . . . . . . . . . . . 72.2 m -132.07 86.76 46.09 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.19 179.344 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1941 ' ' PRO . . . . . . . . . . . . . 3.3 Cg_exo -78.76 -13.32 14.58 Favored 'Trans proline' 0 C--N 1.344 0.307 0 C-N-CA 123.218 2.612 . . . . 0.0 112.579 -179.263 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1942 ' ' SER . . . . . . . . . . . . . 16.2 m -88.54 -4.68 58.55 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.186 0.517 . . . . 0.0 110.306 -179.363 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1943 ' ' ASP . . . . . . . . . . . . . 19.6 t70 -90.98 117.96 29.98 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.7 -0.682 . . . . 0.0 109.772 177.798 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1944 ' ' VAL . . . . . 0.428 ' O ' ' HG2' ' A' 1948 ' ' LYS . 6.0 p -75.57 -30.7 22.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-N 116.422 -0.353 . . . . 0.0 110.875 -175.475 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1945 ' ' TYR . . . . . . . . . . . . . 96.4 m-85 -60.57 -49.65 76.67 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.802 0.334 . . . . 0.0 110.761 -176.84 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1946 ' ' THR . . . . . 0.507 HG22 ' HB2' ' A' 1937 ' ' LEU . 27.7 m -58.15 -40.55 81.65 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.658 177.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1947 ' ' LYS . . . . . 0.411 ' O ' HD13 ' A' 1951 ' ' ILE . 6.0 ttpp -65.42 -45.3 84.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.757 -0.656 . . . . 0.0 109.936 179.175 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1948 ' ' LYS . . . . . 0.491 ' HE2' ' HA ' ' A' 1948 ' ' LYS . 8.4 mmpt? -58.68 -48.9 79.51 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.209 179.24 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1949 ' ' GLU . . . . . . . . . . . . . 49.8 mm-40 -53.6 -45.24 69.97 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.514 -0.766 . . . . 0.0 111.337 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1950 ' ' LEU . . . . . 0.416 HD12 ' HA ' ' A' 1934 ' ' ALA . 7.2 tt -58.89 -45.24 90.72 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.271 179.836 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1951 ' ' ILE . . . . . 0.591 ' HA ' HG12 ' A' 1872 ' ' VAL . 1.7 mp -62.64 -41.83 93.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.617 177.802 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1952 ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -67.79 -22.46 65.19 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.943 -178.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1953 ' ' CYS . . . . . . . . . . . . . 86.0 m -86.21 -52.16 5.82 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.428 -178.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1954 ' ' ALA . . . . . 0.549 ' HB2' HD11 ' A' 1930 ' ' LEU . . . -65.88 -33.68 76.38 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 111.613 0.227 . . . . 0.0 111.613 -176.392 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1955 ' ' ARG . . . . . . . . . . . . . 17.0 ptm180 -60.81 -32.26 71.63 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.9 0.381 . . . . 0.0 110.162 178.36 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1956 ' ' ARG . . . . . 0.506 ' O ' ' HG3' ' A' 1960 ' ' LYS . 90.7 mtt180 -75.77 -49.89 16.83 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.513 -179.748 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1957 ' ' VAL . . . . . 0.629 ' O ' HG13 ' A' 1961 ' ' VAL . 10.4 m -67.07 -26.39 36.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.588 -174.81 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1958 ' ' SER . . . . . 0.625 ' O ' HG22 ' A' 1961 ' ' VAL . 28.7 t -60.36 -32.26 71.11 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-O 121.072 0.463 . . . . 0.0 110.42 176.877 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1959 ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -81.86 -32.54 31.05 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 122.081 -0.387 . . . . 0.0 111.001 173.857 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1960 ' ' LYS . . . . . 0.96 ' HD3' ' HB3' ' A' 1922 ' ' GLU . 60.8 mttm -64.59 -33.36 75.75 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.497 -179.309 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1961 ' ' VAL . . . . . 0.76 HG21 ' HB2' ' A' 1865 ' ' ALA . 5.4 m -67.71 -34.77 69.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 N-CA-C 109.694 -0.484 . . . . 0.0 109.694 174.529 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1962 ' ' SER . . . . . 0.6 ' HA ' HD12 ' A' 1965 ' ' LEU . 29.9 t -69.65 -28.13 65.63 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.736 -0.665 . . . . 0.0 109.911 176.719 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1963 ' ' HIS . . . . . 0.481 ' HB3' ' CD ' ' A' 1919 ' ' ARG . 51.6 m170 -70.15 -34.48 73.07 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.27 178.805 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1964 ' ' VAL . . . . . 0.781 HG11 HD11 ' A' 1896 ' ' LEU . 77.7 t -67.45 -42.61 87.35 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.116 0 N-CA-C 109.136 -0.69 . . . . 0.0 109.136 173.469 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1965 ' ' LEU . . . . . 0.622 ' HG ' ' O ' ' A' 1961 ' ' VAL . 76.1 mt -57.23 -45.55 83.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.312 -0.858 . . . . 0.0 110.465 177.513 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1966 ' ' ALA . . . . . . . . . . . . . . . -69.05 -41.71 77.25 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.553 -179.392 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1967 ' ' ALA . . . . . . . . . . . . . . . -60.63 -42.64 97.31 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.029 0.442 . . . . 0.0 110.996 178.761 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1968 ' ' LEU . . . . . 0.828 ' HB3' ' HG3' ' A' 1854 ' ' GLN . 91.9 mt -71.87 -33.28 68.26 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.225 -179.711 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1969 ' ' GLN . . . . . . . . . . . . . 48.7 mt-30 . . . . . 0 C--N 1.324 -0.501 0 CA-C-O 120.655 0.264 . . . . 0.0 111.299 -178.872 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A 1850 ' ' PHE . . . . . . . . . . . . . 63.6 t80 . . . . . 0 N--CA 1.453 -0.303 0 CA-C-O 121.408 0.623 . . . . 0.0 109.424 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A 1851 ' ' VAL . . . . . . . . . . . . . 9.3 m -62.99 -29.29 46.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 114.897 -1.047 . . . . 0.0 111.75 -177.439 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1852 ' ' ASP . . . . . . . . . . . . . 26.9 m-20 -71.41 -49.74 38.9 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.107 0.479 . . . . 0.0 110.205 -178.35 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1853 ' ' TYR . . . . . 0.651 ' O ' HG22 ' A' 1856 ' ' THR . 49.1 m-85 -70.91 -33.48 70.58 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.037 -179.754 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1854 ' ' GLN . . . . . 0.981 ' HG3' ' HB3' ' A' 1968 ' ' LEU . 45.2 tt0 -57.72 -59.26 5.48 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.087 177.464 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1855 ' ' THR . . . . . 0.729 ' O ' ' HG2' ' A' 1859 ' ' ARG . 27.2 m -59.01 -34.87 72.38 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.577 -0.738 . . . . 0.0 111.781 -174.245 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1856 ' ' THR . . . . . 0.651 HG22 ' O ' ' A' 1853 ' ' TYR . 5.8 t -69.2 -45.41 69.96 Favored 'General case' 0 C--N 1.323 -0.554 0 C-N-CA 120.857 -0.337 . . . . 0.0 111.562 -174.551 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1857 ' ' MET . . . . . 0.462 ' HB2' HD12 ' A' 1896 ' ' LEU . 9.9 ptm -81.58 -26.95 34.53 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 111.857 0.318 . . . . 0.0 111.857 -173.142 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1858 ' ' VAL . . . . . 0.435 HG13 ' O ' ' A' 1854 ' ' GLN . 19.9 m -66.07 -29.26 46.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 C-N-CA 119.874 -0.73 . . . . 0.0 109.53 174.86 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1859 ' ' ARG . . . . . 0.729 ' HG2' ' O ' ' A' 1855 ' ' THR . 8.0 mmt180 -73.5 -41.45 63.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.122 176.771 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1860 ' ' THR . . . . . 0.431 ' O ' HG13 ' A' 1864 ' ' ILE . 5.9 m -64.4 -37.21 86.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.987 -0.552 . . . . 0.0 110.939 178.481 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1861 ' ' ALA . . . . . 0.443 ' HB1' ' HB ' ' A' 1961 ' ' VAL . . . -60.18 -41.8 93.64 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.087 0.47 . . . . 0.0 110.462 176.822 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1862 ' ' LYS . . . . . . . . . . . . . 52.9 mttm -65.49 -38.96 91.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.159 176.884 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1863 ' ' ALA . . . . . . . . . . . . . . . -62.1 -42.76 99.54 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.752 178.292 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1864 ' ' ILE . . . . . 0.583 ' O ' HG13 ' A' 1868 ' ' VAL . 58.9 mt -63.92 -45.58 96.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-O 120.921 0.391 . . . . 0.0 110.177 176.294 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1865 ' ' ALA . . . . . 0.779 ' HB2' HG21 ' A' 1961 ' ' VAL . . . -57.61 -44.79 85.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.897 -178.071 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1866 ' ' VAL . . . . . . . . . . . . . 14.6 p -67.08 -32.79 59.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 C-N-CA 120.684 -0.407 . . . . 0.0 110.38 179.853 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1867 ' ' THR . . . . . 0.622 ' O ' ' HG3' ' A' 1871 ' ' MET . 94.9 m -63.42 -53.8 46.6 Favored 'General case' 0 N--CA 1.455 -0.206 0 CA-C-N 116.688 -0.233 . . . . 0.0 110.802 176.559 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1868 ' ' VAL . . . . . 0.583 HG13 ' O ' ' A' 1864 ' ' ILE . 2.4 m -60.49 -31.89 49.95 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.242 0 CA-C-O 121.439 0.638 . . . . 0.0 110.276 -177.892 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1869 ' ' GLN . . . . . . . . . . . . . 8.7 tp-100 -75.88 -32.22 59.6 Favored 'General case' 0 N--CA 1.424 -1.751 0 CA-C-N 115.141 -0.936 . . . . 0.0 110.515 -178.586 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1870 ' ' GLU . . . . . 0.558 ' O ' ' HG2' ' A' 1874 ' ' LYS . 38.8 mt-10 -68.12 -44.88 75.14 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.264 -0.425 . . . . 0.0 109.95 171.894 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1871 ' ' MET . . . . . 0.637 ' HG2' ' HB3' ' A' 1885 ' ' LEU . 67.6 mtp -55.03 -49.89 70.43 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.471 -0.786 . . . . 0.0 111.058 -177.896 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1872 ' ' VAL . . . . . 0.55 ' HB ' HG13 ' A' 1951 ' ' ILE . 34.3 m -66.68 -30.37 49.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 C-N-CA 121.059 -0.256 . . . . 0.0 111.607 -179.279 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1873 ' ' THR . . . . . . . . . . . . . 58.8 m -68.43 -48.62 64.12 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 109.68 -0.489 . . . . 0.0 109.68 175.858 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1874 ' ' LYS . . . . . 0.558 ' HG2' ' O ' ' A' 1870 ' ' GLU . 69.5 mmtt -57.69 -34.83 69.83 Favored 'General case' 0 C--O 1.212 -0.881 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.682 177.134 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1875 ' ' SER . . . . . 0.426 ' HA ' HD11 ' A' 1882 ' ' LEU . 19.3 m -61.38 -10.71 7.87 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 112.378 0.51 . . . . 0.0 112.378 -176.817 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1876 ' ' ASN . . . . . . . . . . . . . 48.8 m-80 -93.55 -37.67 11.78 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 111.908 0.336 . . . . 0.0 111.908 -179.668 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1877 ' ' THR . . . . . . . . . . . . . 67.1 p -121.25 -24.7 5.42 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.246 0.546 . . . . 0.0 112.0 -175.775 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1878 ' ' SER . . . . . . . . . . . . . 11.7 m -132.95 85.04 47.32 Favored Pre-proline 0 N--CA 1.439 -0.999 0 CA-C-N 115.486 -0.779 . . . . 0.0 112.531 -166.151 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1879 ' ' PRO . . . . . 0.781 ' HA ' HD12 ' A' 1882 ' ' LEU . 7.3 Cg_exo -67.93 -29.35 34.59 Favored 'Trans proline' 0 C--N 1.319 -1.005 0 C-N-CA 121.405 1.404 . . . . 0.0 110.88 174.327 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1880 ' ' GLU . . . . . . . . . . . . . 43.8 mp0 -66.93 -38.11 85.56 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.147 -0.933 . . . . 0.0 111.047 -175.285 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1881 ' ' GLU . . . . . 0.416 ' HG3' ' HD2' ' A' 1874 ' ' LYS . 6.7 mm-40 -67.69 -15.93 63.89 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.761 -176.713 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1882 ' ' LEU . . . . . 0.781 HD12 ' HA ' ' A' 1879 ' ' PRO . 12.3 mt -74.22 -16.22 60.97 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.795 -176.884 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1883 ' ' GLY . . . . . . . . . . . . . . . -65.15 -61.7 5.54 Favored Glycine 0 CA--C 1.52 0.373 0 C-N-CA 120.62 -0.8 . . . . 0.0 112.374 178.156 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1884 ' ' PRO . . . . . . . . . . . . . 20.5 Cg_endo -63.34 -32.83 72.04 Favored 'Trans proline' 0 C--N 1.347 0.47 0 C-N-CA 122.441 2.094 . . . . 0.0 112.67 177.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1885 ' ' LEU . . . . . 0.637 ' HB3' ' HG2' ' A' 1871 ' ' MET . 54.7 mt -65.93 -34.91 79.19 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 111.761 0.282 . . . . 0.0 111.761 -177.887 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1886 ' ' ALA . . . . . . . . . . . . . . . -64.95 -41.7 95.27 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.135 0.493 . . . . 0.0 110.18 177.152 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1887 ' ' ASN . . . . . . . . . . . . . 87.2 m-20 -71.08 -29.51 65.39 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.062 177.563 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1888 ' ' GLN . . . . . . . . . . . . . 49.3 tp60 -65.9 -51.05 62.06 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.458 177.479 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1889 ' ' LEU . . . . . 0.423 HD12 ' SD ' ' A' 1871 ' ' MET . 1.2 tt -56.46 -46.63 80.27 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.46 0.647 . . . . 0.0 109.388 177.917 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1890 ' ' THR . . . . . . . . . . . . . 56.8 m -58.17 -35.18 71.19 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.117 -0.947 . . . . 0.0 111.16 178.684 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1891 ' ' SER . . . . . . . . . . . . . 28.9 t -69.91 -50.93 37.38 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.814 178.389 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1892 ' ' ASP . . . . . . . . . . . . . 77.2 m-20 -61.71 -41.76 98.05 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.348 -176.646 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1893 ' ' TYR . . . . . . . . . . . . . 39.1 t80 -56.94 -40.81 77.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.072 178.627 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1894 ' ' GLY . . . . . . . . . . . . . . . -57.34 -33.65 66.19 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 121.184 -0.531 . . . . 0.0 112.392 -179.041 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1895 ' ' ARG . . . . . 0.464 ' N ' ' HD2' ' A' 1895 ' ' ARG . 9.0 mpt_? -77.37 -49.96 13.78 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.649 0.261 . . . . 0.0 110.357 179.336 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1896 ' ' LEU . . . . . 0.653 HD11 HG11 ' A' 1964 ' ' VAL . 66.5 tp -55.46 -46.78 76.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.437 -177.847 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1897 ' ' ALA . . . . . . . . . . . . . . . -67.27 -27.05 66.88 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.446 -177.721 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1898 ' ' SER . . . . . . . . . . . . . 18.8 t -81.89 -29.27 32.48 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.334 0.588 . . . . 0.0 110.045 -176.166 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1899 ' ' GLN . . . . . 0.416 ' OE1' ' HA ' ' A' 1857 ' ' MET . 83.1 mt-30 -79.29 -12.06 59.94 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.397 -0.819 . . . . 0.0 110.453 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1900 ' ' ALA . . . . . 0.416 ' HA ' ' HE1' ' A' 1857 ' ' MET . . . -74.53 -35.96 63.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.677 -0.692 . . . . 0.0 111.838 -179.083 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1901 ' ' LYS . . . . . 0.513 ' HB3' ' HD3' ' A' 1902 ' ' PRO . 2.3 tmmm? -62.93 -57.75 19.87 Favored Pre-proline 0 CA--C 1.541 0.622 0 CA-C-N 116.52 -0.309 . . . . 0.0 111.144 -175.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1902 ' ' PRO . . . . . 0.513 ' HD3' ' HB3' ' A' 1901 ' ' LYS . 44.3 Cg_endo -67.46 -19.7 48.74 Favored 'Trans proline' 0 C--N 1.354 0.857 0 C-N-CA 121.934 1.756 . . . . 0.0 112.738 -177.804 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1903 ' ' ALA . . . . . . . . . . . . . . . -76.66 -33.66 58.29 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.095 0.474 . . . . 0.0 110.533 178.23 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1904 ' ' ALA . . . . . . . . . . . . . . . -71.27 -32.95 69.31 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.581 -177.092 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1905 ' ' VAL . . . . . . . . . . . . . 36.0 m -88.39 -15.69 9.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 115.639 -0.71 . . . . 0.0 110.987 179.449 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1906 ' ' ALA . . . . . . . . . . . . . . . -76.06 -43.9 41.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.271 -0.422 . . . . 0.0 109.94 176.641 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1907 ' ' ALA . . . . . . . . . . . . . . . -73.03 135.04 44.85 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.76 -0.654 . . . . 0.0 110.12 176.423 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1908 ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -90.02 -21.1 22.53 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 120.888 0.375 . . . . 0.0 110.596 -177.565 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1909 ' ' ASN . . . . . . . . . . . . . 51.3 m-80 -76.55 144.39 39.72 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.054 0.454 . . . . 0.0 110.481 177.665 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1910 ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -60.81 -53.97 50.85 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.281 -0.872 . . . . 0.0 111.488 -177.884 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1911 ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 -68.05 -43.11 79.41 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.761 -0.654 . . . . 0.0 112.282 -171.635 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1912 ' ' ILE . . . . . 0.589 ' O ' HG13 ' A' 1916 ' ' ILE . 57.9 mt -53.67 -53.71 24.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 C-N-CA 120.927 -0.309 . . . . 0.0 110.438 -177.043 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1913 ' ' GLY . . . . . 0.578 ' HA2' HD12 ' A' 1916 ' ' ILE . . . -69.76 -28.35 72.16 Favored Glycine 0 CA--C 1.519 0.335 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.786 -179.884 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1914 ' ' ALA . . . . . . . . . . . . . . . -75.68 -40.65 55.56 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.655 0.264 . . . . 0.0 111.108 -177.161 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1915 ' ' HIS . . . . . 0.43 ' O ' ' HG2' ' A' 1919 ' ' ARG . 82.2 m-70 -67.04 -35.18 79.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.849 -179.205 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1916 ' ' ILE . . . . . 0.589 HG13 ' O ' ' A' 1912 ' ' ILE . 97.8 mt -53.35 -59.23 1.93 Allowed 'Isoleucine or valine' 0 C--O 1.233 0.219 0 CA-C-N 115.657 -0.701 . . . . 0.0 111.165 178.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1917 ' ' LYS . . . . . 0.421 ' HE3' ' HB2' ' A' 1917 ' ' LYS . 51.8 mtmt -69.66 -27.45 65.04 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.28 -177.42 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1918 ' ' HIS . . . . . 0.443 ' O ' ' HG3' ' A' 1922 ' ' GLU . 41.6 t-80 -64.93 -46.16 82.79 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.973 0.416 . . . . 0.0 110.574 -178.766 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1919 ' ' ARG . . . . . 0.43 ' HG2' ' O ' ' A' 1915 ' ' HIS . 29.6 mmt180 -71.53 -37.65 71.14 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.633 -174.778 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1920 ' ' VAL . . . . . . . . . . . . . 23.2 m -71.7 -28.84 32.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.937 0.399 . . . . 0.0 110.382 179.031 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1921 ' ' GLN . . . . . . . . . . . . . 28.9 tt0 -66.78 -42.56 85.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.972 -0.558 . . . . 0.0 109.975 175.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1922 ' ' GLU . . . . . 0.443 ' HG3' ' O ' ' A' 1918 ' ' HIS . 40.3 mt-10 -65.08 -40.25 94.39 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.27 176.277 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1923 ' ' LEU . . . . . 0.454 HD21 ' HB2' ' A' 1960 ' ' LYS . 30.0 mt -64.57 -33.15 75.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.165 177.643 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1924 ' ' GLY . . . . . . . . . . . . . . . -53.91 -45.09 71.57 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 121.273 -0.489 . . . . 0.0 112.806 179.706 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1925 ' ' HIS . . . . . . . . . . . . . 27.7 m80 -78.4 -31.87 48.48 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.917 0.389 . . . . 0.0 110.458 -178.8 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1926 ' ' GLY . . . . . . . . . . . . . . . -69.92 -40.43 74.15 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.207 179.668 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1927 ' ' CYS . . . . . . . . . . . . . 66.7 m -66.19 -43.13 87.72 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.463 0.173 . . . . 0.0 110.784 179.358 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1928 ' ' SER . . . . . . . . . . . . . 21.9 p -65.64 -33.56 76.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.953 0.406 . . . . 0.0 110.665 -178.571 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1929 ' ' ALA . . . . . . . . . . . . . . . -69.38 -45.51 69.14 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.332 176.499 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1930 ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -62.18 -50.23 72.63 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.636 -178.147 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1931 ' ' VAL . . . . . . . . . . . . . 27.6 m -63.08 -28.37 44.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-O 120.7 0.286 . . . . 0.0 111.324 -177.027 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1932 ' ' THR . . . . . . . . . . . . . 86.0 m -72.06 -41.53 67.29 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-O 120.819 0.342 . . . . 0.0 110.23 176.462 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1933 ' ' LYS . . . . . . . . . . . . . 73.6 mmtt -65.53 -40.66 93.18 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.444 176.535 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1934 ' ' ALA . . . . . . . . . . . . . . . -60.5 -48.59 81.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.577 177.174 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1935 ' ' GLY . . . . . . . . . . . . . . . -63.8 -30.27 77.2 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.926 -0.654 . . . . 0.0 112.389 178.71 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1936 ' ' ALA . . . . . . . . . . . . . . . -74.46 -46.54 39.09 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.42 0.152 . . . . 0.0 111.018 179.764 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1937 ' ' LEU . . . . . 0.499 ' CD1' ' HA ' ' A' 1941 ' ' PRO . 30.6 tp -68.17 -28.92 67.7 Favored 'General case' 0 CA--C 1.518 -0.278 0 CA-C-O 121.369 0.604 . . . . 0.0 110.189 179.82 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1938 ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -64.8 -27.85 69.16 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.325 -0.852 . . . . 0.0 109.618 178.138 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1939 ' ' CYS . . . . . . . . . . . . . 58.7 m -86.22 -44.41 12.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.466 176.256 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1940 ' ' SER . . . . . . . . . . . . . 74.5 m -129.09 93.13 37.39 Favored Pre-proline 0 C--N 1.327 -0.41 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.275 -179.882 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1941 ' ' PRO . . . . . 0.499 ' HA ' ' CD1' ' A' 1937 ' ' LEU . 83.2 Cg_endo -84.68 -8.69 9.28 Favored 'Trans proline' 0 CA--C 1.53 0.32 0 C-N-CA 122.896 2.397 . . . . 0.0 113.641 -177.282 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1942 ' ' SER . . . . . . . . . . . . . 38.6 m -86.83 -13.88 43.74 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.914 0.387 . . . . 0.0 111.196 -176.687 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1943 ' ' ASP . . . . . . . . . . . . . 14.8 t70 -86.27 114.63 23.24 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.942 -0.572 . . . . 0.0 109.615 177.484 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1944 ' ' VAL . . . . . . . . . . . . . 3.7 p -72.59 -29.2 29.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.875 -174.166 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1945 ' ' TYR . . . . . . . . . . . . . 92.9 m-85 -66.03 -37.28 85.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.13 0.491 . . . . 0.0 110.411 -178.85 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1946 ' ' THR . . . . . . . . . . . . . 31.6 m -64.64 -41.53 96.07 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.095 175.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1947 ' ' LYS . . . . . 0.401 ' HB3' ' HE2' ' A' 1947 ' ' LYS . 34.2 ttpt -70.92 -44.89 65.22 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.868 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1948 ' ' LYS . . . . . 0.497 ' HE2' ' HA ' ' A' 1948 ' ' LYS . 6.2 mmpt? -53.14 -53.7 46.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.149 -177.493 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1949 ' ' GLU . . . . . . . . . . . . . 62.7 mm-40 -59.94 -29.57 68.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.89 -178.264 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1950 ' ' LEU . . . . . 0.431 HD11 HD22 ' A' 1882 ' ' LEU . 6.3 tt -64.69 -55.27 21.1 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.426 -0.583 . . . . 0.0 109.426 178.329 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1951 ' ' ILE . . . . . 0.55 HG13 ' HB ' ' A' 1872 ' ' VAL . 2.2 mp -63.23 -46.46 95.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.588 179.816 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1952 ' ' GLU . . . . . 0.461 ' O ' ' HG3' ' A' 1956 ' ' ARG . 52.4 mt-10 -64.04 -25.79 68.27 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.593 -177.599 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1953 ' ' CYS . . . . . . . . . . . . . 20.2 t -80.75 -40.4 25.25 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.834 0.349 . . . . 0.0 110.367 178.157 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1954 ' ' ALA . . . . . . . . . . . . . . . -63.71 -39.26 93.86 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.682 -178.087 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1955 ' ' ARG . . . . . 0.412 ' HA ' ' OG ' ' A' 1958 ' ' SER . 0.0 OUTLIER -70.79 -22.91 62.31 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.694 0.283 . . . . 0.0 110.964 179.073 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A 1956 ' ' ARG . . . . . 0.565 ' O ' ' HG2' ' A' 1960 ' ' LYS . 81.7 mtp180 -75.74 -41.23 53.9 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.58 -0.282 . . . . 0.0 110.572 176.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1957 ' ' VAL . . . . . 0.505 ' O ' HG13 ' A' 1961 ' ' VAL . 12.3 m -78.02 -22.97 13.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 C-N-CA 120.96 -0.296 . . . . 0.0 111.474 -177.341 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1958 ' ' SER . . . . . 0.531 ' O ' HG22 ' A' 1961 ' ' VAL . 1.3 p -69.61 -26.94 64.68 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 111.61 0.226 . . . . 0.0 111.61 -177.831 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1959 ' ' GLU . . . . . 0.431 ' HG2' ' O ' ' A' 1956 ' ' ARG . 12.6 pt-20 -80.94 -26.62 36.54 Favored 'General case' 0 C--N 1.331 -0.218 0 C-N-CA 120.195 -0.602 . . . . 0.0 109.801 172.823 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1960 ' ' LYS . . . . . 0.565 ' HG2' ' O ' ' A' 1956 ' ' ARG . 12.5 mmmm -71.04 -35.98 72.19 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.478 -179.701 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1961 ' ' VAL . . . . . 0.779 HG21 ' HB2' ' A' 1865 ' ' ALA . 5.9 m -66.01 -33.49 63.92 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.168 0 CA-C-O 120.952 0.406 . . . . 0.0 109.943 176.054 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1962 ' ' SER . . . . . 0.691 ' HA ' HD12 ' A' 1965 ' ' LEU . 42.2 t -65.92 -27.1 67.93 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 121.354 0.597 . . . . 0.0 109.962 176.794 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1963 ' ' HIS . . . . . . . . . . . . . 62.6 m170 -79.76 -23.96 41.87 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.872 -0.603 . . . . 0.0 110.284 -179.038 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1964 ' ' VAL . . . . . 0.653 HG11 HD11 ' A' 1896 ' ' LEU . 97.8 t -66.5 -46.84 85.46 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.2 0 N-CA-C 108.368 -0.975 . . . . 0.0 108.368 168.171 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1965 ' ' LEU . . . . . 0.691 HD12 ' HA ' ' A' 1962 ' ' SER . 51.1 mt -52.87 -47.57 67.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.135 -0.939 . . . . 0.0 110.391 177.656 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1966 ' ' ALA . . . . . . . . . . . . . . . -68.86 -43.67 74.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.887 -179.243 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1967 ' ' ALA . . . . . . . . . . . . . . . -57.46 -42.49 82.65 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-O 121.006 0.431 . . . . 0.0 111.071 -179.07 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1968 ' ' LEU . . . . . 0.981 ' HB3' ' HG3' ' A' 1854 ' ' GLN . 4.3 mm? -73.42 -41.15 63.63 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.882 179.015 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1969 ' ' GLN . . . . . . . . . . . . . 46.5 mt-30 . . . . . 0 C--N 1.33 -0.267 0 N-CA-C 111.704 0.261 . . . . 0.0 111.704 -178.645 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A 1850 ' ' PHE . . . . . 0.404 ' CZ ' HG21 ' A' 1912 ' ' ILE . 87.2 t80 . . . . . 0 N--CA 1.454 -0.231 0 CA-C-O 121.196 0.522 . . . . 0.0 110.157 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1851 ' ' VAL . . . . . . . . . . . . . 23.6 m -60.09 -31.24 47.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.183 178.701 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1852 ' ' ASP . . . . . . . . . . . . . 20.4 t70 -74.08 -45.82 46.87 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.187 0.518 . . . . 0.0 110.008 -179.733 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1853 ' ' TYR . . . . . 0.565 ' CE1' ' HB2' ' A' 1902 ' ' PRO . 59.7 m-85 -69.56 -24.1 63.66 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.452 -0.794 . . . . 0.0 110.58 -179.765 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1854 ' ' GLN . . . . . 0.949 ' HG3' ' HB3' ' A' 1968 ' ' LEU . 6.2 tt0 -73.4 -55.45 6.36 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.289 174.13 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1855 ' ' THR . . . . . 0.405 ' HA ' HG22 ' A' 1858 ' ' VAL . 39.4 m -59.01 -38.71 79.86 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.03 -0.532 . . . . 0.0 112.046 -175.878 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1856 ' ' THR . . . . . 0.454 HG23 ' N ' ' A' 1857 ' ' MET . 9.7 t -58.62 -50.45 73.77 Favored 'General case' 0 CA--C 1.537 0.449 0 N-CA-C 111.872 0.323 . . . . 0.0 111.872 -176.342 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1857 ' ' MET . . . . . 0.626 ' SD ' HD21 ' A' 1968 ' ' LEU . 6.4 ptp -81.8 -31.11 31.95 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 112.156 0.428 . . . . 0.0 112.156 -174.833 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1858 ' ' VAL . . . . . 0.464 HG13 ' O ' ' A' 1854 ' ' GLN . 23.4 m -66.78 -36.34 76.96 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.178 0 C-N-CA 119.938 -0.705 . . . . 0.0 110.181 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1859 ' ' ARG . . . . . 0.548 ' HA ' ' HD2' ' A' 1862 ' ' LYS . 6.3 mpt_? -62.22 -42.38 99.25 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-O 121.254 0.55 . . . . 0.0 110.169 172.572 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1860 ' ' THR . . . . . . . . . . . . . 31.6 m -66.93 -40.6 87.66 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.365 -0.834 . . . . 0.0 111.138 -179.042 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1861 ' ' ALA . . . . . . . . . . . . . . . -60.59 -38.61 85.2 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.839 0.352 . . . . 0.0 110.777 178.68 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1862 ' ' LYS . . . . . 0.548 ' HD2' ' HA ' ' A' 1859 ' ' ARG . 40.8 mttm -62.91 -42.65 99.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.28 176.747 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1863 ' ' ALA . . . . . . . . . . . . . . . -66.98 -37.29 83.97 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.774 -179.79 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1864 ' ' ILE . . . . . . . . . . . . . 80.1 mt -64.21 -45.44 96.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.141 175.117 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1865 ' ' ALA . . . . . 0.82 ' HB2' HG21 ' A' 1961 ' ' VAL . . . -59.64 -44.47 93.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.059 -0.519 . . . . 0.0 112.074 -178.768 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1866 ' ' VAL . . . . . 0.611 ' HA ' ' HG2' ' A' 1869 ' ' GLN . 12.5 p -71.59 -33.64 49.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 C-N-CA 120.354 -0.539 . . . . 0.0 110.421 179.3 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1867 ' ' THR . . . . . 0.672 ' O ' ' HG3' ' A' 1871 ' ' MET . 90.0 m -62.68 -51.48 67.07 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.553 0.216 . . . . 0.0 110.472 177.07 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1868 ' ' VAL . . . . . 0.53 ' HA ' ' SD ' ' A' 1871 ' ' MET . 30.6 m -64.17 -31.64 54.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.077 -177.344 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1869 ' ' GLN . . . . . 0.611 ' HG2' ' HA ' ' A' 1866 ' ' VAL . 2.6 pt20 -76.95 -30.22 55.95 Favored 'General case' 0 N--CA 1.453 -0.286 0 C-N-CA 120.485 -0.486 . . . . 0.0 110.174 179.043 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1870 ' ' GLU . . . . . 0.471 ' HG3' ' O ' ' A' 1866 ' ' VAL . 47.6 mt-10 -63.27 -39.0 93.35 Favored 'General case' 0 C--O 1.223 -0.296 0 N-CA-C 109.556 -0.535 . . . . 0.0 109.556 172.404 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1871 ' ' MET . . . . . 0.672 ' HG3' ' O ' ' A' 1867 ' ' THR . 39.2 mtp -59.46 -41.16 89.07 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.813 -179.779 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1872 ' ' VAL . . . . . 1.1 ' HB ' HG13 ' A' 1951 ' ' ILE . 1.5 m -73.99 -28.27 23.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 121.361 0.6 . . . . 0.0 110.596 179.589 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1873 ' ' THR . . . . . . . . . . . . . 38.7 m -77.25 -46.11 24.19 Favored 'General case' 0 N--CA 1.443 -0.818 0 CA-C-N 115.467 -0.788 . . . . 0.0 110.702 -179.352 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1874 ' ' LYS . . . . . 0.489 ' HG3' HD11 ' A' 1885 ' ' LEU . 70.4 mmtt -65.15 -46.26 81.61 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.791 -0.64 . . . . 0.0 111.159 -178.425 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1875 ' ' SER . . . . . 0.553 ' HB3' HD11 ' A' 1882 ' ' LEU . 7.9 p -55.13 -20.03 9.11 Favored 'General case' 0 N--CA 1.467 0.417 0 N-CA-C 113.28 0.844 . . . . 0.0 113.28 -171.705 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1876 ' ' ASN . . . . . . . . . . . . . 93.1 m-20 -66.36 -36.79 83.78 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.746 0.308 . . . . 0.0 111.296 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1877 ' ' THR . . . . . . . . . . . . . 81.2 p -121.24 -31.14 4.17 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.412 0.625 . . . . 0.0 111.322 -179.499 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1878 ' ' SER . . . . . . . . . . . . . 22.7 m -126.01 101.43 29.09 Favored Pre-proline 0 C--N 1.319 -0.734 0 CA-C-N 115.479 -0.782 . . . . 0.0 111.044 -170.801 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1879 ' ' PRO . . . . . 0.778 ' HA ' HD12 ' A' 1882 ' ' LEU . 64.3 Cg_endo -84.05 -28.03 1.36 Allowed 'Trans proline' 0 N--CA 1.446 -1.28 0 C-N-CA 121.316 1.344 . . . . 0.0 111.738 175.657 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1880 ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -68.43 -29.83 68.57 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.763 178.501 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1881 ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -61.79 -13.91 28.01 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.435 178.308 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1882 ' ' LEU . . . . . 0.778 HD12 ' HA ' ' A' 1879 ' ' PRO . 0.8 OUTLIER -86.26 -7.13 58.75 Favored 'General case' 0 N--CA 1.438 -1.048 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.492 -175.458 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A 1883 ' ' GLY . . . . . 0.408 ' N ' ' HD2' ' A' 1884 ' ' PRO . . . -66.15 -60.35 6.48 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.677 -0.773 . . . . 0.0 111.844 175.44 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1884 ' ' PRO . . . . . 0.408 ' HD2' ' N ' ' A' 1883 ' ' GLY . 18.5 Cg_endo -60.09 -32.98 95.47 Favored 'Trans proline' 0 C--N 1.348 0.501 0 C-N-CA 122.644 2.23 . . . . 0.0 112.206 176.563 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1885 ' ' LEU . . . . . 0.489 HD11 ' HG3' ' A' 1874 ' ' LYS . 73.1 mt -69.77 -40.06 76.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.654 -179.094 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1886 ' ' ALA . . . . . . . . . . . . . . . -63.43 -44.93 93.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.104 0.478 . . . . 0.0 110.26 177.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1887 ' ' ASN . . . . . . . . . . . . . 58.9 t30 -63.16 -38.33 90.75 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.694 -0.685 . . . . 0.0 110.098 176.504 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1888 ' ' GLN . . . . . 0.427 ' HG3' HG21 ' A' 1867 ' ' THR . 30.9 tp60 -63.19 -48.22 79.26 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.895 179.275 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1889 ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -57.2 -44.53 83.75 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.397 0.618 . . . . 0.0 109.407 177.151 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1890 ' ' THR . . . . . . . . . . . . . 57.2 m -60.52 -47.68 85.09 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.24 -0.891 . . . . 0.0 111.462 -179.264 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1891 ' ' SER . . . . . . . . . . . . . 33.1 m -66.79 -43.78 83.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.694 0.283 . . . . 0.0 111.462 -177.726 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1892 ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -69.05 -40.48 78.51 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.643 -0.253 . . . . 0.0 111.474 -177.168 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1893 ' ' TYR . . . . . . . . . . . . . 51.8 t80 -58.5 -33.27 69.62 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-O 120.908 0.385 . . . . 0.0 110.558 176.351 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1894 ' ' GLY . . . . . . . . . . . . . . . -59.6 -30.26 68.41 Favored Glycine 0 N--CA 1.45 -0.43 0 C-N-CA 121.097 -0.573 . . . . 0.0 112.171 178.639 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1895 ' ' ARG . . . . . . . . . . . . . 35.7 ttt180 -78.43 -39.67 38.1 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.042 0.449 . . . . 0.0 110.31 178.282 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1896 ' ' LEU . . . . . 0.452 HD12 ' HB2' ' A' 1857 ' ' MET . 59.5 tp -61.42 -49.15 78.02 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.891 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1897 ' ' ALA . . . . . . . . . . . . . . . -69.95 -25.05 63.46 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.782 -176.099 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1898 ' ' SER . . . . . . . . . . . . . 11.3 p -82.1 -46.44 13.85 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.918 0.39 . . . . 0.0 110.162 -176.827 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1899 ' ' GLN . . . . . . . . . . . . . 15.2 mm100 -70.56 -11.6 61.03 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.897 179.671 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1900 ' ' ALA . . . . . 0.537 ' HA ' ' HE3' ' A' 1857 ' ' MET . . . -67.74 -28.56 67.74 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.864 176.68 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1901 ' ' LYS . . . . . 0.418 ' HB3' ' CD ' ' A' 1902 ' ' PRO . 22.3 tptm -71.92 -57.69 3.84 Favored Pre-proline 0 CA--C 1.537 0.466 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.362 -177.69 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1902 ' ' PRO . . . . . 0.596 ' HA ' HG22 ' A' 1905 ' ' VAL . 29.9 Cg_endo -64.08 -24.38 66.53 Favored 'Trans proline' 0 C--N 1.356 0.932 0 C-N-CA 121.774 1.649 . . . . 0.0 112.164 178.097 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1903 ' ' ALA . . . . . . . . . . . . . . . -71.18 -38.2 72.14 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.884 0.373 . . . . 0.0 110.77 177.117 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1904 ' ' ALA . . . . . . . . . . . . . . . -75.21 -31.35 60.86 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.839 -176.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1905 ' ' VAL . . . . . 0.596 HG22 ' HA ' ' A' 1902 ' ' PRO . 22.7 m -84.71 -17.99 9.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.506 -178.225 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1906 ' ' ALA . . . . . . . . . . . . . . . -102.62 0.35 33.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.614 0.245 . . . . 0.0 110.687 177.424 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1907 ' ' ALA . . . . . . . . . . . . . . . -64.78 135.93 56.34 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.571 179.516 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1908 ' ' GLU . . . . . 0.537 ' OE1' HD12 ' A' 1912 ' ' ILE . 0.0 OUTLIER -89.35 -29.14 19.34 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 121.081 0.467 . . . . 0.0 110.889 -177.252 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A 1909 ' ' ASN . . . . . . . . . . . . . 32.2 m-80 -97.63 166.36 11.54 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.201 0.524 . . . . 0.0 111.524 179.047 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1910 ' ' GLU . . . . . . . . . . . . . 12.1 tp10 -72.42 -53.88 10.94 Favored 'General case' 0 CA--C 1.513 -0.472 0 CA-C-N 115.423 -0.808 . . . . 0.0 110.551 -179.704 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1911 ' ' GLU . . . . . 0.488 ' HB3' ' CD2' ' A' 1915 ' ' HIS . 1.8 mt-10 -72.69 -33.91 66.81 Favored 'General case' 0 N--CA 1.442 -0.827 0 CA-C-N 114.782 -1.099 . . . . 0.0 112.174 -169.414 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1912 ' ' ILE . . . . . 0.576 ' O ' HG13 ' A' 1916 ' ' ILE . 48.7 mt -57.1 -53.71 39.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 C-N-CA 120.702 -0.399 . . . . 0.0 110.66 -178.148 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1913 ' ' GLY . . . . . . . . . . . . . . . -62.08 -32.33 81.93 Favored Glycine 0 N--CA 1.453 -0.227 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.241 179.596 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1914 ' ' ALA . . . . . . . . . . . . . . . -73.55 -44.23 57.97 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.931 0.395 . . . . 0.0 110.757 179.451 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1915 ' ' HIS . . . . . 0.494 ' O ' ' HG2' ' A' 1919 ' ' ARG . 78.3 m-70 -68.02 -37.86 81.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.355 -177.256 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1916 ' ' ILE . . . . . 0.576 HG13 ' O ' ' A' 1912 ' ' ILE . 89.2 mt -51.41 -58.06 2.51 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.161 0 O-C-N 123.363 0.414 . . . . 0.0 111.272 179.823 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1917 ' ' LYS . . . . . . . . . . . . . 52.7 mtmt -69.37 -24.22 63.85 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.505 -176.255 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1918 ' ' HIS . . . . . 0.412 ' O ' ' HG3' ' A' 1922 ' ' GLU . 13.0 m-70 -69.35 -52.76 24.04 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.744 0.307 . . . . 0.0 110.83 175.04 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1919 ' ' ARG . . . . . 0.494 ' HG2' ' O ' ' A' 1915 ' ' HIS . 26.3 mmt180 -68.76 -39.06 80.44 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.099 -0.501 . . . . 0.0 112.033 -171.872 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1920 ' ' VAL . . . . . . . . . . . . . 30.6 m -64.75 -29.2 46.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.924 0.392 . . . . 0.0 110.494 179.078 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1921 ' ' GLN . . . . . . . . . . . . . 5.7 tt0 -71.28 -42.77 68.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.309 0.576 . . . . 0.0 110.488 178.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1922 ' ' GLU . . . . . 0.412 ' HG3' ' O ' ' A' 1918 ' ' HIS . 37.7 mt-10 -72.34 -31.33 65.54 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.708 0.766 . . . . 0.0 108.996 -176.551 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1923 ' ' LEU . . . . . 0.639 ' HG ' ' HB3' ' A' 1960 ' ' LYS . 0.7 OUTLIER -69.61 -47.66 62.7 Favored 'General case' 0 N--CA 1.446 -0.635 0 CA-C-N 114.667 -1.151 . . . . 0.0 109.781 176.679 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A 1924 ' ' GLY . . . . . . . . . . . . . . . -61.01 -39.93 97.77 Favored Glycine 0 N--CA 1.451 -0.336 0 CA-C-N 115.785 -0.643 . . . . 0.0 113.326 -177.714 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1925 ' ' HIS . . . . . . . . . . . . . 29.6 m170 -62.43 -31.35 72.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.862 0.363 . . . . 0.0 110.816 178.555 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1926 ' ' GLY . . . . . 0.523 ' HA3' HG12 ' A' 1957 ' ' VAL . . . -77.01 -34.68 41.29 Favored Glycine 0 N--CA 1.448 -0.504 0 C-N-CA 120.543 -0.837 . . . . 0.0 111.633 175.187 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1927 ' ' CYS . . . . . . . . . . . . . 64.0 m -63.81 -47.37 81.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.729 0.3 . . . . 0.0 110.683 178.534 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1928 ' ' SER . . . . . . . . . . . . . 5.5 p -60.96 -37.32 81.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.063 -178.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1929 ' ' ALA . . . . . . . . . . . . . . . -69.13 -42.89 75.42 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.046 0.451 . . . . 0.0 110.54 176.47 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1930 ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -63.45 -49.63 72.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.276 -177.593 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1931 ' ' VAL . . . . . . . . . . . . . 27.8 m -61.95 -27.13 41.75 Favored 'Isoleucine or valine' 0 C--O 1.234 0.282 0 CA-C-O 120.822 0.344 . . . . 0.0 111.22 -178.096 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1932 ' ' THR . . . . . . . . . . . . . 55.7 m -70.96 -46.31 62.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.456 176.362 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1933 ' ' LYS . . . . . . . . . . . . . 33.7 mmtp -71.64 -30.72 66.07 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.363 -0.381 . . . . 0.0 111.224 -178.391 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1934 ' ' ALA . . . . . 0.42 ' HB1' ' HB3' ' A' 1882 ' ' LEU . . . -59.46 -53.61 56.11 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.99 0.424 . . . . 0.0 111.372 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1935 ' ' GLY . . . . . . . . . . . . . . . -70.74 -25.17 76.19 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 121.149 -0.548 . . . . 0.0 112.039 178.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1936 ' ' ALA . . . . . . . . . . . . . . . -75.0 -39.02 61.44 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.668 0.27 . . . . 0.0 110.747 179.393 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1937 ' ' LEU . . . . . 0.417 ' HB2' HG22 ' A' 1946 ' ' THR . 61.2 tp -66.01 -37.82 86.89 Favored 'General case' 0 CA--C 1.517 -0.317 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.066 -179.748 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1938 ' ' GLN . . . . . 0.699 ' HA ' ' HB2' ' A' 1879 ' ' PRO . 3.1 pt20 -73.66 -25.08 60.09 Favored 'General case' 0 C--N 1.322 -0.589 0 C-N-CA 119.782 -0.767 . . . . 0.0 110.526 178.021 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1939 ' ' CYS . . . . . . . . . . . . . 16.6 t -82.39 -11.43 58.56 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.152 0.501 . . . . 0.0 110.228 176.046 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1940 ' ' SER . . . . . . . . . . . . . 48.2 m -146.73 71.83 12.59 Favored Pre-proline 0 C--N 1.326 -0.436 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.675 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1941 ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -77.26 -6.41 16.45 Favored 'Trans proline' 0 C--N 1.344 0.328 0 C-N-CA 122.508 2.138 . . . . 0.0 112.842 -174.597 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1942 ' ' SER . . . . . . . . . . . . . 33.3 t -91.99 2.18 56.71 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.939 0.399 . . . . 0.0 110.447 -179.35 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1943 ' ' ASP . . . . . . . . . . . . . 17.3 t70 -109.14 106.36 16.21 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.307 179.63 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1944 ' ' VAL . . . . . 0.482 ' O ' ' HG2' ' A' 1948 ' ' LYS . 10.8 p -71.93 -25.9 24.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.895 -176.752 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1945 ' ' TYR . . . . . . . . . . . . . 89.7 m-85 -68.58 -38.05 80.38 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.733 -176.568 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1946 ' ' THR . . . . . 0.417 HG22 ' HB2' ' A' 1937 ' ' LEU . 92.1 m -59.28 -38.22 79.62 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.352 174.589 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1947 ' ' LYS . . . . . 0.494 ' HG3' ' HB2' ' A' 1875 ' ' SER . 15.1 ttpp -68.65 -43.55 76.03 Favored 'General case' 0 N--CA 1.453 -0.283 0 CA-C-N 116.079 -0.509 . . . . 0.0 109.829 176.863 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1948 ' ' LYS . . . . . 0.59 ' O ' ' HG2' ' A' 1952 ' ' GLU . 7.7 mmpt? -53.9 -53.05 58.07 Favored 'General case' 0 C--N 1.332 -0.152 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.535 -179.79 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1949 ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -57.86 -37.67 74.32 Favored 'General case' 0 N--CA 1.464 0.26 0 O-C-N 123.47 0.481 . . . . 0.0 111.179 -179.018 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1950 ' ' LEU . . . . . 0.741 HD11 HD22 ' A' 1882 ' ' LEU . 7.7 tt -60.53 -49.69 76.52 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.529 -178.025 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1951 ' ' ILE . . . . . 1.1 HG13 ' HB ' ' A' 1872 ' ' VAL . 2.0 mp -64.31 -41.43 92.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.301 177.512 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1952 ' ' GLU . . . . . 0.59 ' HG2' ' O ' ' A' 1948 ' ' LYS . 32.1 mm-40 -62.38 -36.59 82.76 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.057 -179.027 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1953 ' ' CYS . . . . . . . . . . . . . 36.3 t -75.43 -42.9 52.31 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.524 -0.307 . . . . 0.0 111.005 -178.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1954 ' ' ALA . . . . . . . . . . . . . . . -61.04 -39.72 90.9 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.71 -176.552 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1955 ' ' ARG . . . . . 0.565 ' HE ' ' HA ' ' A' 1952 ' ' GLU . 8.9 ptp180 -63.06 -30.91 71.97 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.842 0.353 . . . . 0.0 110.497 -179.896 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1956 ' ' ARG . . . . . 0.485 ' HG3' ' O ' ' A' 1952 ' ' GLU . 81.2 mtp180 -80.0 -37.08 34.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.368 -175.69 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1957 ' ' VAL . . . . . 0.523 HG12 ' HA3' ' A' 1926 ' ' GLY . 10.5 m -71.8 -29.69 34.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 C-N-CA 120.586 -0.446 . . . . 0.0 110.138 179.394 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1958 ' ' SER . . . . . 0.719 ' O ' HG22 ' A' 1961 ' ' VAL . 39.4 t -66.81 -24.08 66.13 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.318 177.689 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1959 ' ' GLU . . . . . 0.449 ' OE1' ' HA ' ' A' 1956 ' ' ARG . 42.4 mt-10 -68.0 -41.14 82.7 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.427 -0.583 . . . . 0.0 109.427 173.632 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1960 ' ' LYS . . . . . 0.639 ' HB3' ' HG ' ' A' 1923 ' ' LEU . 1.5 mppt? -66.48 -32.31 73.59 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.512 -0.767 . . . . 0.0 111.288 -179.502 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1961 ' ' VAL . . . . . 0.82 HG21 ' HB2' ' A' 1865 ' ' ALA . 2.3 m -63.38 -35.01 70.62 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.142 0 CA-C-O 120.992 0.425 . . . . 0.0 109.882 178.596 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1962 ' ' SER . . . . . 0.515 ' HA ' HD12 ' A' 1965 ' ' LEU . 10.4 t -76.85 -26.87 54.78 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-N 116.018 -0.537 . . . . 0.0 109.709 179.123 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1963 ' ' HIS . . . . . . . . . . . . . 66.6 m170 -72.94 -30.0 63.53 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.042 178.881 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1964 ' ' VAL . . . . . 0.632 ' O ' HD23 ' A' 1968 ' ' LEU . 64.3 t -67.53 -47.59 79.92 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.201 0 N-CA-C 109.119 -0.697 . . . . 0.0 109.119 171.169 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1965 ' ' LEU . . . . . 0.569 ' HG ' ' O ' ' A' 1961 ' ' VAL . 84.5 mt -53.29 -54.76 31.69 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.949 179.436 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1966 ' ' ALA . . . . . . . . . . . . . . . -62.48 -33.63 75.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.91 -177.516 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1967 ' ' ALA . . . . . . . . . . . . . . . -66.53 -45.49 79.29 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.198 -178.855 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1968 ' ' LEU . . . . . 0.949 ' HB3' ' HG3' ' A' 1854 ' ' GLN . 3.8 mm? -73.1 -30.77 63.89 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.896 -178.426 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1969 ' ' GLN . . . . . . . . . . . . . 73.8 mt-30 . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.969 -175.915 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A 1850 ' ' PHE . . . . . 0.538 ' HB2' ' O ' ' A' 1906 ' ' ALA . 76.4 t80 . . . . . 0 N--CA 1.457 -0.079 0 CA-C-O 120.734 0.302 . . . . 0.0 110.987 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1851 ' ' VAL . . . . . . . . . . . . . 6.2 m -57.69 -32.8 43.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.302 -178.718 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1852 ' ' ASP . . . . . . . . . . . . . 21.8 t70 -76.33 -48.87 18.51 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.5 -178.314 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1853 ' ' TYR . . . . . 0.465 ' HB3' ' HB2' ' A' 1903 ' ' ALA . 56.4 m-85 -66.81 -33.54 75.83 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.593 -178.816 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1854 ' ' GLN . . . . . 0.554 ' HA ' HD12 ' A' 1968 ' ' LEU . 29.5 tt0 -58.63 -59.86 4.73 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.159 173.499 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1855 ' ' THR . . . . . 0.587 ' O ' ' HG2' ' A' 1859 ' ' ARG . 25.3 m -62.51 -37.88 87.76 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.528 -0.76 . . . . 0.0 112.126 -173.678 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1856 ' ' THR . . . . . 0.452 HG23 ' N ' ' A' 1857 ' ' MET . 14.5 t -66.16 -49.53 67.08 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 111.923 0.342 . . . . 0.0 111.923 -174.358 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1857 ' ' MET . . . . . 0.674 ' HB2' HD12 ' A' 1896 ' ' LEU . 1.1 ptp -82.35 -22.77 35.38 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 120.594 -0.443 . . . . 0.0 111.567 -171.759 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1858 ' ' VAL . . . . . 0.405 HG13 ' O ' ' A' 1854 ' ' GLN . 34.2 m -70.76 -30.41 41.89 Favored 'Isoleucine or valine' 0 CA--C 1.523 -0.062 0 C-N-CA 120.001 -0.679 . . . . 0.0 109.818 175.591 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1859 ' ' ARG . . . . . 0.587 ' HG2' ' O ' ' A' 1855 ' ' THR . 38.7 mmt180 -61.72 -44.12 97.54 Favored 'General case' 0 CA--C 1.516 -0.332 0 N-CA-C 109.122 -0.696 . . . . 0.0 109.122 172.122 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1860 ' ' THR . . . . . 0.425 ' O ' HG13 ' A' 1864 ' ' ILE . 5.7 m -62.52 -41.43 98.85 Favored 'General case' 0 N--CA 1.449 -0.515 0 CA-C-N 115.15 -0.932 . . . . 0.0 110.843 -179.836 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1861 ' ' ALA . . . . . . . . . . . . . . . -62.41 -46.05 90.32 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.895 0.379 . . . . 0.0 110.82 178.621 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1862 ' ' LYS . . . . . 0.405 ' HE2' HD22 ' A' 1965 ' ' LEU . 46.4 mttm -64.53 -36.07 83.02 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.508 177.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1863 ' ' ALA . . . . . . . . . . . . . . . -70.45 -37.1 74.27 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.807 178.616 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1864 ' ' ILE . . . . . 0.634 ' O ' HG13 ' A' 1868 ' ' VAL . 63.7 mt -65.66 -42.18 92.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 N-CA-C 110.134 -0.321 . . . . 0.0 110.134 175.148 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1865 ' ' ALA . . . . . 0.806 ' HB2' HG21 ' A' 1961 ' ' VAL . . . -54.69 -48.94 71.81 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.757 -179.073 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1866 ' ' VAL . . . . . . . . . . . . . 10.3 p -64.85 -34.15 68.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 C-N-CA 120.71 -0.396 . . . . 0.0 110.744 -179.621 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1867 ' ' THR . . . . . 0.479 ' O ' ' HG3' ' A' 1871 ' ' MET . 11.9 m -66.18 -49.49 67.17 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.81 -0.177 . . . . 0.0 110.867 178.602 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1868 ' ' VAL . . . . . 0.634 HG13 ' O ' ' A' 1864 ' ' ILE . 3.1 m -65.2 -32.77 59.73 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.287 0 CA-C-O 121.488 0.661 . . . . 0.0 110.554 -178.616 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1869 ' ' GLN . . . . . . . . . . . . . 5.5 tp-100 -77.63 -34.91 53.14 Favored 'General case' 0 N--CA 1.427 -1.576 0 CA-C-N 115.278 -0.874 . . . . 0.0 110.261 -177.849 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1870 ' ' GLU . . . . . . . . . . . . . 32.5 mm-40 -71.97 -31.09 65.94 Favored 'General case' 0 C--O 1.22 -0.472 0 CA-C-N 116.544 -0.298 . . . . 0.0 110.816 172.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1871 ' ' MET . . . . . 0.479 ' HG3' ' O ' ' A' 1867 ' ' THR . 7.6 mtt -55.23 -48.99 73.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.699 0.285 . . . . 0.0 110.926 177.268 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1872 ' ' VAL . . . . . 0.6 HG12 ' HA ' ' A' 1951 ' ' ILE . 32.9 m -72.88 -28.96 28.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.98 0.419 . . . . 0.0 111.092 179.809 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1873 ' ' THR . . . . . . . . . . . . . 85.6 m -71.17 -43.64 67.08 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.574 177.454 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1874 ' ' LYS . . . . . . . . . . . . . 75.2 mmtt -71.04 -47.51 58.16 Favored 'General case' 0 C--O 1.22 -0.469 0 CA-C-N 116.044 -0.526 . . . . 0.0 111.142 -178.783 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1875 ' ' SER . . . . . 0.427 ' HB3' HD11 ' A' 1882 ' ' LEU . 11.2 p -54.68 -22.08 12.67 Favored 'General case' 0 N--CA 1.466 0.341 0 N-CA-C 113.006 0.743 . . . . 0.0 113.006 -172.638 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1876 ' ' ASN . . . . . . . . . . . . . 94.0 m-20 -70.56 -23.55 62.63 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 111.8 0.296 . . . . 0.0 111.8 -179.781 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1877 ' ' THR . . . . . . . . . . . . . 46.9 p -132.38 -25.8 1.92 Allowed 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 112.317 0.488 . . . . 0.0 112.317 179.571 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1878 ' ' SER . . . . . . . . . . . . . 25.9 m -136.75 107.29 9.04 Favored Pre-proline 0 C--N 1.321 -0.655 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.56 -169.86 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1879 ' ' PRO . . . . . 0.926 ' HG3' ' HB3' ' A' 1941 ' ' PRO . 26.1 Cg_endo -90.39 -7.79 4.07 Favored 'Trans proline' 0 N--CA 1.446 -1.299 0 C-N-CA 122.145 1.897 . . . . 0.0 111.72 172.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1880 ' ' GLU . . . . . . . . . . . . . 28.2 mm-40 -78.35 -36.06 46.67 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.67 179.343 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1881 ' ' GLU . . . . . . . . . . . . . 49.0 mm-40 -67.37 -14.86 63.31 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-O 121.247 0.546 . . . . 0.0 110.827 -179.524 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1882 ' ' LEU . . . . . 0.916 HD12 ' HA ' ' A' 1879 ' ' PRO . 1.1 mt -79.41 -10.66 59.85 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.668 -0.697 . . . . 0.0 112.298 -174.41 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1883 ' ' GLY . . . . . . . . . . . . . . . -65.75 -61.57 5.48 Favored Glycine 0 N--CA 1.453 -0.214 0 C-N-CA 120.43 -0.891 . . . . 0.0 112.131 176.522 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1884 ' ' PRO . . . . . 0.432 ' O ' ' HB2' ' A' 1888 ' ' GLN . 14.0 Cg_endo -59.01 -38.7 86.38 Favored 'Trans proline' 0 N--CA 1.462 -0.351 0 C-N-CA 122.413 2.075 . . . . 0.0 112.095 175.831 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1885 ' ' LEU . . . . . . . . . . . . . 81.0 mt -61.71 -43.69 98.36 Favored 'General case' 0 N--CA 1.463 0.2 0 N-CA-C 111.688 0.255 . . . . 0.0 111.688 -178.597 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1886 ' ' ALA . . . . . . . . . . . . . . . -63.42 -48.41 77.92 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.895 0.379 . . . . 0.0 110.951 -179.001 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1887 ' ' ASN . . . . . . . . . . . . . 94.1 m-20 -68.02 -30.59 69.87 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.217 -179.872 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1888 ' ' GLN . . . . . 0.432 ' HB2' ' O ' ' A' 1884 ' ' PRO . 0.9 OUTLIER -63.61 -56.17 17.97 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.637 -0.71 . . . . 0.0 109.994 178.515 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A 1889 ' ' LEU . . . . . 0.551 HD11 HG12 ' A' 1868 ' ' VAL . 1.1 tt -53.32 -43.05 67.32 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.143 -0.935 . . . . 0.0 109.596 178.644 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1890 ' ' THR . . . . . . . . . . . . . 40.7 m -60.18 -44.22 95.24 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.453 -0.794 . . . . 0.0 111.059 179.203 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1891 ' ' SER . . . . . . . . . . . . . 35.9 m -67.13 -44.65 79.33 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.154 -178.434 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1892 ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -64.63 -44.35 90.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.211 -179.343 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1893 ' ' TYR . . . . . . . . . . . . . 41.0 t80 -57.42 -41.37 80.26 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-O 120.613 0.245 . . . . 0.0 110.679 177.554 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1894 ' ' GLY . . . . . . . . . . . . . . . -56.5 -38.82 82.41 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 121.087 -0.578 . . . . 0.0 112.3 178.268 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1895 ' ' ARG . . . . . . . . . . . . . 74.6 ttt180 -71.84 -47.4 53.39 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.089 0.471 . . . . 0.0 110.185 176.54 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1896 ' ' LEU . . . . . 0.674 HD12 ' HB2' ' A' 1857 ' ' MET . 60.1 tp -55.43 -55.54 30.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.564 -0.744 . . . . 0.0 111.8 -177.705 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1897 ' ' ALA . . . . . . . . . . . . . . . -64.06 -24.29 67.65 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.812 -175.69 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1898 ' ' SER . . . . . . . . . . . . . 50.6 m -82.6 -32.85 28.2 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.128 0.489 . . . . 0.0 110.196 -177.272 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1899 ' ' GLN . . . . . 0.406 HE21 ' HB2' ' A' 1899 ' ' GLN . 15.6 mt-30 -73.96 -9.47 58.67 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.502 -0.772 . . . . 0.0 110.551 178.615 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1900 ' ' ALA . . . . . . . . . . . . . . . -71.82 -32.7 67.83 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.32 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1901 ' ' LYS . . . . . 0.419 ' N ' ' HD2' ' A' 1902 ' ' PRO . 21.8 tptm -67.84 -56.66 11.18 Favored Pre-proline 0 CA--C 1.537 0.464 0 C-N-CA 120.864 -0.334 . . . . 0.0 111.491 -177.62 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1902 ' ' PRO . . . . . 0.464 ' HB2' ' CE1' ' A' 1853 ' ' TYR . 28.5 Cg_endo -63.24 -25.76 72.13 Favored 'Trans proline' 0 C--N 1.354 0.825 0 C-N-CA 122.001 1.801 . . . . 0.0 112.353 179.62 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1903 ' ' ALA . . . . . 0.465 ' HB2' ' HB3' ' A' 1853 ' ' TYR . . . -74.47 -29.92 61.64 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.966 0.412 . . . . 0.0 110.688 178.101 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1904 ' ' ALA . . . . . . . . . . . . . . . -76.21 -28.22 57.12 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.777 -177.612 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1905 ' ' VAL . . . . . 0.411 HG22 ' HA ' ' A' 1902 ' ' PRO . 34.4 m -92.22 -3.88 10.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.552 178.645 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1906 ' ' ALA . . . . . 0.538 ' O ' ' HB2' ' A' 1850 ' ' PHE . . . -111.25 9.55 21.73 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.234 177.082 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1907 ' ' ALA . . . . . . . . . . . . . . . -64.48 135.12 55.74 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.438 -0.801 . . . . 0.0 111.828 -176.232 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1908 ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -73.4 -27.22 61.34 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.571 -0.741 . . . . 0.0 110.271 177.425 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1909 ' ' ASN . . . . . 0.418 ' HB2' ' CD1' ' A' 1912 ' ' ILE . 85.9 m-20 -137.56 159.02 43.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.012 -179.565 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1910 ' ' GLU . . . . . . . . . . . . . 27.3 tt0 -55.96 -53.67 54.1 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 123.701 0.626 . . . . 0.0 111.693 -177.666 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1911 ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -62.91 -39.08 93.45 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.72 -0.673 . . . . 0.0 111.46 -174.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1912 ' ' ILE . . . . . 0.627 ' O ' HG13 ' A' 1916 ' ' ILE . 80.6 mt -52.12 -53.4 18.64 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 O-C-N 123.308 0.38 . . . . 0.0 110.715 -178.886 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1913 ' ' GLY . . . . . 0.579 ' HA2' HD12 ' A' 1916 ' ' ILE . . . -65.55 -26.83 72.06 Favored Glycine 0 CA--C 1.517 0.208 0 C-N-CA 120.968 -0.635 . . . . 0.0 112.702 -179.085 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1914 ' ' ALA . . . . . . . . . . . . . . . -76.15 -42.25 47.34 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.737 0.303 . . . . 0.0 110.642 179.855 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1915 ' ' HIS . . . . . 0.585 ' O ' ' HG2' ' A' 1919 ' ' ARG . 96.1 m-70 -66.09 -36.4 83.08 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.841 -178.609 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1916 ' ' ILE . . . . . 0.627 HG13 ' O ' ' A' 1912 ' ' ILE . 89.9 mt -52.9 -57.21 4.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.01 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1917 ' ' LYS . . . . . 0.418 ' HA ' HG22 ' A' 1920 ' ' VAL . 9.5 mtmp? -68.66 -26.92 65.56 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.713 -179.351 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1918 ' ' HIS . . . . . . . . . . . . . 49.9 t-80 -63.98 -44.9 91.31 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.234 0.54 . . . . 0.0 110.009 177.588 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1919 ' ' ARG . . . . . 0.609 ' HD2' ' HB3' ' A' 1963 ' ' HIS . 21.7 mmt180 -76.74 -29.2 56.06 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.438 -0.801 . . . . 0.0 111.97 -172.422 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1920 ' ' VAL . . . . . 0.418 HG22 ' HA ' ' A' 1917 ' ' LYS . 24.6 m -78.84 -26.28 13.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 C-N-CA 120.337 -0.545 . . . . 0.0 110.439 177.262 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1921 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.37 -40.17 64.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.073 0.463 . . . . 0.0 110.188 179.406 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1922 ' ' GLU . . . . . 0.576 ' HG3' ' HG3' ' A' 1960 ' ' LYS . 10.9 pt-20 -72.43 -28.22 62.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 109.925 179.659 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1923 ' ' LEU . . . . . 1.018 ' HG ' ' HB3' ' A' 1960 ' ' LYS . 4.5 mt -71.51 -37.88 71.17 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.518 174.08 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1924 ' ' GLY . . . . . . . . . . . . . . . -54.53 -45.42 76.9 Favored Glycine 0 N--CA 1.453 -0.199 0 CA-C-N 116.15 -0.477 . . . . 0.0 113.008 -178.461 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1925 ' ' HIS . . . . . . . . . . . . . 33.3 m170 -62.39 -48.07 81.36 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.038 0.447 . . . . 0.0 110.458 179.27 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1926 ' ' GLY . . . . . 0.479 ' HA3' HG12 ' A' 1957 ' ' VAL . . . -68.12 -43.53 80.54 Favored Glycine 0 N--CA 1.448 -0.53 0 CA-C-N 115.756 -0.656 . . . . 0.0 112.934 -176.764 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1927 ' ' CYS . . . . . . . . . . . . . 82.4 m -61.81 -46.63 88.69 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.714 0.292 . . . . 0.0 111.049 -178.833 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1928 ' ' SER . . . . . . . . . . . . . 15.9 m -65.39 -36.85 85.21 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.776 -178.129 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1929 ' ' ALA . . . . . . . . . . . . . . . -70.19 -40.67 74.47 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.04 0.448 . . . . 0.0 110.482 177.185 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1930 ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -61.9 -51.82 66.61 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.631 -178.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1931 ' ' VAL . . . . . . . . . . . . . 31.7 m -63.15 -28.4 45.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.623 -0.262 . . . . 0.0 111.125 -177.683 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1932 ' ' THR . . . . . . . . . . . . . 91.8 m -65.12 -48.09 74.83 Favored 'General case' 0 N--CA 1.453 -0.3 0 N-CA-C 109.914 -0.402 . . . . 0.0 109.914 175.283 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1933 ' ' LYS . . . . . . . . . . . . . 74.0 mmtt -69.6 -35.54 75.41 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.919 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1934 ' ' ALA . . . . . . . . . . . . . . . -59.57 -50.15 75.0 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.601 176.369 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1935 ' ' GLY . . . . . . . . . . . . . . . -67.51 -35.43 86.72 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.816 -0.707 . . . . 0.0 112.028 177.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1936 ' ' ALA . . . . . . . . . . . . . . . -63.9 -46.39 85.07 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.552 0.215 . . . . 0.0 111.138 178.706 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1937 ' ' LEU . . . . . 0.413 ' N ' HG21 ' A' 1946 ' ' THR . 36.2 tp -69.05 -30.55 68.91 Favored 'General case' 0 CA--C 1.514 -0.406 0 CA-C-O 121.277 0.561 . . . . 0.0 109.851 178.295 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1938 ' ' GLN . . . . . . . . . . . . . 11.1 tt0 -60.51 -40.09 90.15 Favored 'General case' 0 N--CA 1.444 -0.749 0 CA-C-N 115.387 -0.824 . . . . 0.0 110.246 177.558 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1939 ' ' CYS . . . . . . . . . . . . . 86.3 m -79.61 -32.64 41.87 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.153 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1940 ' ' SER . . . . . . . . . . . . . 45.6 m -122.47 81.75 46.77 Favored Pre-proline 0 C--N 1.327 -0.386 0 CA-C-O 120.875 0.369 . . . . 0.0 110.692 178.042 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1941 ' ' PRO . . . . . 0.926 ' HB3' ' HG3' ' A' 1879 ' ' PRO . 23.3 Cg_exo -67.25 -22.32 46.67 Favored 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 123.332 2.688 . . . . 0.0 113.149 -174.317 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1942 ' ' SER . . . . . . . . . . . . . 44.7 m -99.09 11.66 38.38 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.236 -176.129 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1943 ' ' ASP . . . . . . . . . . . . . 19.3 t70 -98.33 107.39 19.84 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.935 0.397 . . . . 0.0 110.044 177.03 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1944 ' ' VAL . . . . . . . . . . . . . 10.6 p -72.64 -27.87 26.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.312 -175.505 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1945 ' ' TYR . . . . . . . . . . . . . 90.4 m-85 -64.76 -45.47 86.25 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.978 0.418 . . . . 0.0 110.35 -177.435 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1946 ' ' THR . . . . . 0.413 HG21 ' N ' ' A' 1937 ' ' LEU . 55.3 m -60.9 -40.62 93.8 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.622 176.252 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1947 ' ' LYS . . . . . . . . . . . . . 28.2 ttpt -64.67 -42.15 95.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.088 179.501 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1948 ' ' LYS . . . . . 0.569 ' HE2' ' HA ' ' A' 1948 ' ' LYS . 8.6 mmpt? -55.82 -50.56 70.2 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.856 179.278 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1949 ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 -58.43 -35.78 72.61 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.046 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1950 ' ' LEU . . . . . 0.406 HD21 ' HB3' ' A' 1871 ' ' MET . 6.8 tt -63.35 -51.87 64.16 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.105 179.641 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1951 ' ' ILE . . . . . 0.6 ' HA ' HG12 ' A' 1872 ' ' VAL . 1.8 mp -60.24 -45.43 96.17 Favored 'Isoleucine or valine' 0 C--O 1.235 0.32 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.849 179.892 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1952 ' ' GLU . . . . . 0.513 ' O ' ' HG3' ' A' 1956 ' ' ARG . 7.6 mm-40 -62.91 -35.83 81.37 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.403 -177.778 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1953 ' ' CYS . . . . . 0.427 ' O ' HG13 ' A' 1957 ' ' VAL . 16.5 t -77.01 -46.76 22.72 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.584 -0.28 . . . . 0.0 111.009 -177.149 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1954 ' ' ALA . . . . . . . . . . . . . . . -60.98 -40.07 92.03 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 112.173 0.435 . . . . 0.0 112.173 -174.812 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1955 ' ' ARG . . . . . 0.421 HH21 ' CD ' ' A' 1952 ' ' GLU . 47.0 ptt85 -67.93 -24.65 65.21 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 120.954 -0.298 . . . . 0.0 111.013 -179.058 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1956 ' ' ARG . . . . . 0.513 ' HG3' ' O ' ' A' 1952 ' ' GLU . 25.3 mtm180 -81.55 -40.06 23.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.827 0.346 . . . . 0.0 111.212 179.432 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1957 ' ' VAL . . . . . 0.479 HG12 ' HA3' ' A' 1926 ' ' GLY . 9.9 m -71.74 -23.65 22.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.601 -0.272 . . . . 0.0 111.019 -176.569 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1958 ' ' SER . . . . . 0.728 ' O ' HG22 ' A' 1961 ' ' VAL . 19.8 t -64.81 -23.77 67.34 Favored 'General case' 0 C--O 1.222 -0.383 0 CA-C-N 116.525 -0.307 . . . . 0.0 110.231 178.186 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1959 ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -69.8 -38.71 76.73 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.346 0.593 . . . . 0.0 109.653 174.633 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1960 ' ' LYS . . . . . 1.018 ' HB3' ' HG ' ' A' 1923 ' ' LEU . 13.0 mptt -63.68 -33.1 74.88 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.303 -0.862 . . . . 0.0 110.631 -178.644 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1961 ' ' VAL . . . . . 0.806 HG21 ' HB2' ' A' 1865 ' ' ALA . 1.6 m -66.11 -38.79 82.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 116.16 -0.473 . . . . 0.0 109.98 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1962 ' ' SER . . . . . 0.485 ' HA ' HD12 ' A' 1965 ' ' LEU . 3.4 m -70.57 -25.69 63.19 Favored 'General case' 0 N--CA 1.442 -0.836 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.165 177.077 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1963 ' ' HIS . . . . . 0.609 ' HB3' ' HD2' ' A' 1919 ' ' ARG . 67.5 m170 -72.3 -39.26 68.42 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.379 -0.828 . . . . 0.0 110.346 179.655 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1964 ' ' VAL . . . . . 0.505 ' O ' HD23 ' A' 1968 ' ' LEU . 92.3 t -60.27 -42.38 90.33 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.151 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 173.186 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1965 ' ' LEU . . . . . 0.633 ' HG ' ' O ' ' A' 1961 ' ' VAL . 65.8 mt -58.65 -47.87 82.98 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.48 -0.782 . . . . 0.0 111.066 179.142 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1966 ' ' ALA . . . . . . . . . . . . . . . -70.03 -30.26 67.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.854 -177.887 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1967 ' ' ALA . . . . . . . . . . . . . . . -69.62 -48.05 61.37 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.864 0.364 . . . . 0.0 110.992 179.587 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1968 ' ' LEU . . . . . 0.554 HD21 ' SD ' ' A' 1857 ' ' MET . 4.2 mm? -78.91 -42.3 27.5 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.766 -174.838 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1969 ' ' GLN . . . . . . . . . . . . . 47.6 mt-30 . . . . . 0 C--N 1.327 -0.4 0 CA-C-O 120.674 0.273 . . . . 0.0 111.487 -175.478 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A 1850 ' ' PHE . . . . . . . . . . . . . 89.3 t80 . . . . . 0 CA--C 1.528 0.108 0 CA-C-O 120.846 0.355 . . . . 0.0 110.914 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A 1851 ' ' VAL . . . . . . . . . . . . . 17.2 m -61.61 -29.48 46.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.811 -176.501 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1852 ' ' ASP . . . . . . . . . . . . . 21.4 t70 -70.1 -50.22 43.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.977 0.418 . . . . 0.0 110.36 -179.66 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1853 ' ' TYR . . . . . 0.496 ' O ' ' HG2' ' A' 1857 ' ' MET . 36.0 m-85 -66.82 -37.22 84.1 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.64 -0.709 . . . . 0.0 109.947 179.415 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1854 ' ' GLN . . . . . 0.842 ' HG3' ' HB3' ' A' 1968 ' ' LEU . 48.0 tt0 -56.27 -58.67 6.97 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.324 -0.853 . . . . 0.0 111.083 177.036 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1855 ' ' THR . . . . . 0.454 ' O ' ' HG2' ' A' 1859 ' ' ARG . 28.7 m -59.24 -41.15 88.06 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.854 -0.612 . . . . 0.0 112.035 -174.194 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1856 ' ' THR . . . . . 0.456 HG22 ' O ' ' A' 1853 ' ' TYR . 15.0 t -66.71 -46.19 76.32 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 111.993 0.368 . . . . 0.0 111.993 -174.034 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1857 ' ' MET . . . . . 0.496 ' HG2' ' O ' ' A' 1853 ' ' TYR . 13.6 ptm -79.93 -24.15 41.26 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.828 -0.349 . . . . 0.0 111.455 -173.085 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1858 ' ' VAL . . . . . 0.416 HG13 ' O ' ' A' 1854 ' ' GLN . 19.1 m -72.99 -34.53 46.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 C-N-CA 119.704 -0.799 . . . . 0.0 109.42 173.662 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1859 ' ' ARG . . . . . 0.454 ' HG2' ' O ' ' A' 1855 ' ' THR . 15.5 mmm180 -66.25 -39.31 89.41 Favored 'General case' 0 CA--C 1.52 -0.191 0 N-CA-C 109.406 -0.59 . . . . 0.0 109.406 173.036 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1860 ' ' THR . . . . . 0.515 ' O ' HG13 ' A' 1864 ' ' ILE . 33.8 m -64.54 -41.37 96.39 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.516 -0.765 . . . . 0.0 110.678 178.086 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1861 ' ' ALA . . . . . 0.453 ' HB1' ' HB ' ' A' 1961 ' ' VAL . . . -62.48 -39.92 95.0 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.897 0.38 . . . . 0.0 110.725 177.29 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1862 ' ' LYS . . . . . . . . . . . . . 59.6 mttm -67.09 -33.42 75.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.394 176.886 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1863 ' ' ALA . . . . . . . . . . . . . . . -65.25 -45.63 83.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.061 175.194 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1864 ' ' ILE . . . . . 0.663 HG12 ' HB3' ' A' 1892 ' ' ASP . 58.1 mt -59.29 -43.65 90.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.179 175.65 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1865 ' ' ALA . . . . . 0.746 ' HB2' HG21 ' A' 1961 ' ' VAL . . . -59.4 -44.72 92.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.842 -178.675 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1866 ' ' VAL . . . . . 0.487 ' HA ' ' HG2' ' A' 1869 ' ' GLN . 10.4 p -74.51 -27.09 20.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 C-N-CA 120.599 -0.44 . . . . 0.0 110.487 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1867 ' ' THR . . . . . 0.635 ' O ' ' HG3' ' A' 1871 ' ' MET . 68.3 m -67.22 -56.87 8.07 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 110.132 -0.321 . . . . 0.0 110.132 173.763 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1868 ' ' VAL . . . . . 0.575 ' HA ' ' SD ' ' A' 1871 ' ' MET . 32.5 m -62.79 -34.39 65.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.685 -175.537 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1869 ' ' GLN . . . . . 0.515 ' O ' HG22 ' A' 1872 ' ' VAL . 1.5 pt20 -72.67 -32.56 65.92 Favored 'General case' 0 N--CA 1.452 -0.372 0 C-N-CA 120.714 -0.394 . . . . 0.0 110.46 -177.907 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1870 ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -70.82 -29.33 65.46 Favored 'General case' 0 C--O 1.217 -0.611 0 C-N-CA 120.817 -0.353 . . . . 0.0 110.428 175.524 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1871 ' ' MET . . . . . 0.635 ' HG3' ' O ' ' A' 1867 ' ' THR . 59.3 mtp -61.45 -42.57 98.96 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.628 0.252 . . . . 0.0 110.364 179.61 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1872 ' ' VAL . . . . . 0.99 ' HB ' HG13 ' A' 1951 ' ' ILE . 1.1 m -72.51 -29.17 30.08 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.383 0 CA-C-O 121.672 0.749 . . . . 0.0 110.273 178.813 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1873 ' ' THR . . . . . . . . . . . . . 91.0 m -79.22 -37.39 38.25 Favored 'General case' 0 C--N 1.315 -0.929 0 CA-C-N 114.642 -1.163 . . . . 0.0 110.797 -177.439 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1874 ' ' LYS . . . . . . . . . . . . . 73.2 mmtt -74.35 -41.32 61.25 Favored 'General case' 0 C--O 1.217 -0.647 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.897 179.245 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1875 ' ' SER . . . . . . . . . . . . . 33.0 p -53.51 -19.81 4.14 Favored 'General case' 0 N--CA 1.465 0.318 0 N-CA-C 112.899 0.703 . . . . 0.0 112.899 -173.359 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1876 ' ' ASN . . . . . . . . . . . . . 91.2 m-20 -72.95 -40.85 65.03 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 111.774 0.287 . . . . 0.0 111.774 -178.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1877 ' ' THR . . . . . . . . . . . . . 34.3 p -122.4 -16.53 7.32 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 112.209 0.448 . . . . 0.0 112.209 -177.378 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1878 ' ' SER . . . . . . . . . . . . . 52.5 m -135.49 100.8 11.19 Favored Pre-proline 0 C--N 1.319 -0.747 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.566 -175.001 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1879 ' ' PRO . . . . . 0.958 ' HA ' HD12 ' A' 1882 ' ' LEU . 36.4 Cg_endo -91.15 2.94 4.51 Favored 'Trans proline' 0 N--CA 1.445 -1.355 0 C-N-CA 121.604 1.536 . . . . 0.0 110.905 171.515 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1880 ' ' GLU . . . . . 0.407 ' H ' ' HG2' ' A' 1880 ' ' GLU . 9.5 pt-20 -85.68 -38.72 18.03 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 114.771 -1.104 . . . . 0.0 110.995 178.837 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1881 ' ' GLU . . . . . . . . . . . . . 22.6 mm-40 -66.46 -14.91 62.88 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-O 121.317 0.58 . . . . 0.0 111.029 -179.48 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1882 ' ' LEU . . . . . 0.958 HD12 ' HA ' ' A' 1879 ' ' PRO . 4.9 mt -79.11 -3.1 43.77 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 115.458 -0.792 . . . . 0.0 111.52 -176.165 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1883 ' ' GLY . . . . . . . . . . . . . . . -76.31 -61.36 2.82 Favored Glycine 0 N--CA 1.447 -0.611 0 C-N-CA 120.454 -0.879 . . . . 0.0 111.333 170.378 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1884 ' ' PRO . . . . . . . . . . . . . 41.9 Cg_exo -58.85 -44.37 36.41 Favored 'Trans proline' 0 C--N 1.348 0.53 0 C-N-CA 122.775 2.317 . . . . 0.0 112.57 175.512 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1885 ' ' LEU . . . . . 0.435 ' HB3' ' HG2' ' A' 1871 ' ' MET . 66.2 mt -59.5 -33.77 71.77 Favored 'General case' 0 N--CA 1.464 0.231 0 N-CA-C 112.122 0.416 . . . . 0.0 112.122 -176.583 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1886 ' ' ALA . . . . . . . . . . . . . . . -69.1 -47.16 65.91 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.974 0.416 . . . . 0.0 110.712 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1887 ' ' ASN . . . . . . . . . . . . . 93.5 m-20 -68.78 -27.61 66.04 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.171 0.51 . . . . 0.0 110.004 177.587 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1888 ' ' GLN . . . . . . . . . . . . . 52.5 tp60 -64.9 -54.96 22.57 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.374 -0.83 . . . . 0.0 110.019 175.648 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1889 ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -52.4 -46.05 66.14 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.443 0.639 . . . . 0.0 109.633 177.372 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1890 ' ' THR . . . . . . . . . . . . . 45.3 m -57.57 -45.03 85.69 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.228 -0.896 . . . . 0.0 111.11 179.515 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1891 ' ' SER . . . . . . . . . . . . . 40.9 m -69.83 -39.27 76.55 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.964 -178.775 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1892 ' ' ASP . . . . . 0.663 ' HB3' HG12 ' A' 1864 ' ' ILE . 57.9 m-20 -60.48 -48.64 80.89 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.604 177.741 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1893 ' ' TYR . . . . . . . . . . . . . 75.4 t80 -59.49 -36.88 76.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.852 178.343 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1894 ' ' GLY . . . . . . . . . . . . . . . -59.07 -34.81 81.05 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.988 -0.625 . . . . 0.0 112.478 179.098 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1895 ' ' ARG . . . . . . . . . . . . . 23.6 ttt180 -78.55 -35.86 45.43 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.107 0.48 . . . . 0.0 110.421 178.117 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1896 ' ' LEU . . . . . 0.671 HD11 HG11 ' A' 1964 ' ' VAL . 63.7 tp -68.15 -50.25 55.78 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.35 -179.24 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1897 ' ' ALA . . . . . . . . . . . . . . . -64.76 -24.46 67.56 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.902 -0.59 . . . . 0.0 112.07 -175.26 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1898 ' ' SER . . . . . . . . . . . . . 4.1 p -81.22 -44.1 18.29 Favored 'General case' 0 C--N 1.324 -0.519 0 C-N-CA 120.891 -0.324 . . . . 0.0 110.631 -177.854 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1899 ' ' GLN . . . . . . . . . . . . . 13.9 mm100 -65.57 -18.08 65.06 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.296 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1900 ' ' ALA . . . . . 0.488 ' HA ' ' HE1' ' A' 1857 ' ' MET . . . -63.1 -28.48 70.1 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.324 178.701 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1901 ' ' LYS . . . . . 0.705 ' HB3' ' HD3' ' A' 1902 ' ' PRO . 0.5 OUTLIER -75.2 -56.96 1.82 Allowed Pre-proline 0 CA--C 1.54 0.563 0 C-N-CA 120.839 -0.344 . . . . 0.0 111.143 -177.365 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A 1902 ' ' PRO . . . . . 0.705 ' HD3' ' HB3' ' A' 1901 ' ' LYS . 38.8 Cg_exo -61.49 -27.43 82.18 Favored 'Trans proline' 0 C--N 1.357 1.021 0 C-N-CA 121.994 1.796 . . . . 0.0 112.346 178.848 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1903 ' ' ALA . . . . . . . . . . . . . . . -73.42 -33.46 64.96 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.927 0.394 . . . . 0.0 110.692 177.814 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1904 ' ' ALA . . . . . . . . . . . . . . . -75.97 -31.58 59.09 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.858 -177.484 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1905 ' ' VAL . . . . . 0.452 HG22 ' HA ' ' A' 1902 ' ' PRO . 17.1 m -80.51 -21.03 11.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.822 179.642 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1906 ' ' ALA . . . . . . . . . . . . . . . -96.97 11.01 37.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.189 0.519 . . . . 0.0 110.381 177.901 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1907 ' ' ALA . . . . . 0.417 ' HB1' ' HB ' ' A' 1912 ' ' ILE . . . -92.46 118.28 30.8 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.758 -179.38 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1908 ' ' GLU . . . . . . . . . . . . . 22.6 mm-40 -67.25 -49.31 64.89 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.815 -179.114 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1909 ' ' ASN . . . . . 0.686 ' HB2' HG13 ' A' 1912 ' ' ILE . 3.2 m-20 -88.31 149.29 23.86 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.458 -176.74 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1910 ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -49.89 -54.18 21.25 Favored 'General case' 0 CA--C 1.516 -0.329 0 O-C-N 123.885 0.741 . . . . 0.0 111.059 -179.781 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1911 ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -70.65 -30.81 67.54 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-N 114.543 -1.208 . . . . 0.0 112.161 -170.06 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1912 ' ' ILE . . . . . 0.686 HG13 ' HB2' ' A' 1909 ' ' ASN . 53.6 mt -56.48 -53.91 34.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 C-N-CA 120.55 -0.46 . . . . 0.0 110.041 -179.702 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1913 ' ' GLY . . . . . . . . . . . . . . . -75.04 -26.27 67.0 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.609 -0.805 . . . . 0.0 112.265 -179.259 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1914 ' ' ALA . . . . . . . . . . . . . . . -72.33 -42.75 65.03 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.78 0.324 . . . . 0.0 110.571 -178.615 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1915 ' ' HIS . . . . . 0.613 ' O ' ' HG2' ' A' 1919 ' ' ARG . 74.6 m-70 -67.02 -40.13 87.18 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.903 -178.531 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1916 ' ' ILE . . . . . 0.548 HG13 ' O ' ' A' 1912 ' ' ILE . 99.1 mt -51.7 -55.29 9.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 O-C-N 123.543 0.527 . . . . 0.0 110.979 178.846 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1917 ' ' LYS . . . . . . . . . . . . . 52.1 mtmt -71.27 -35.4 71.35 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.02 -178.302 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1918 ' ' HIS . . . . . . . . . . . . . 48.0 t-80 -63.37 -38.43 91.13 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.186 -178.442 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1919 ' ' ARG . . . . . 0.613 ' HG2' ' O ' ' A' 1915 ' ' HIS . 31.1 mmt180 -73.69 -47.16 41.71 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.495 -0.32 . . . . 0.0 111.216 -177.054 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1920 ' ' VAL . . . . . 0.41 ' HA ' ' HB2' ' A' 1923 ' ' LEU . 30.0 m -66.42 -26.93 38.89 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-O 120.915 0.388 . . . . 0.0 110.897 -179.03 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1921 ' ' GLN . . . . . . . . . . . . . 24.9 tm0? -62.44 -39.29 92.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.341 177.701 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1922 ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -79.23 -30.37 43.17 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.131 0.491 . . . . 0.0 110.094 179.258 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1923 ' ' LEU . . . . . 0.551 ' HG ' ' HB3' ' A' 1960 ' ' LYS . 4.3 mt -65.13 -34.7 79.01 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.063 178.219 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1924 ' ' GLY . . . . . . . . . . . . . . . -55.22 -41.71 79.86 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 121.111 -0.566 . . . . 0.0 112.354 178.582 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1925 ' ' HIS . . . . . . . . . . . . . 24.0 m170 -66.59 -44.58 81.79 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.919 -0.4 . . . . 0.0 109.919 179.059 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1926 ' ' GLY . . . . . . . . . . . . . . . -64.8 -43.8 95.66 Favored Glycine 0 N--CA 1.449 -0.47 0 CA-C-N 115.657 -0.701 . . . . 0.0 112.355 -178.439 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1927 ' ' CYS . . . . . . . . . . . . . 62.8 m -61.71 -49.56 75.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.821 0.344 . . . . 0.0 110.313 178.519 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1928 ' ' SER . . . . . . . . . . . . . 41.3 t -61.38 -39.1 89.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.99 -179.443 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1929 ' ' ALA . . . . . 0.473 ' O ' ' HG2' ' A' 1933 ' ' LYS . . . -69.05 -46.03 68.9 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.497 -0.319 . . . . 0.0 110.892 179.071 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1930 ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -62.58 -47.52 83.46 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.988 -176.646 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1931 ' ' VAL . . . . . . . . . . . . . 24.4 m -63.22 -27.95 44.09 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.203 0 CA-C-O 120.888 0.375 . . . . 0.0 110.94 -178.247 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1932 ' ' THR . . . . . . . . . . . . . 44.3 m -74.77 -41.19 60.51 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.18 176.519 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1933 ' ' LYS . . . . . 0.473 ' HG2' ' O ' ' A' 1929 ' ' ALA . 74.6 mmtt -65.53 -37.48 86.85 Favored 'General case' 0 C--N 1.333 -0.132 0 CA-C-O 120.989 0.423 . . . . 0.0 110.289 177.071 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1934 ' ' ALA . . . . . . . . . . . . . . . -61.79 -42.65 99.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.594 177.005 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1935 ' ' GLY . . . . . . . . . . . . . . . -67.47 -41.43 90.55 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.009 177.372 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1936 ' ' ALA . . . . . . . . . . . . . . . -61.39 -46.78 88.73 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.44 0.162 . . . . 0.0 111.286 179.031 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1937 ' ' LEU . . . . . 0.484 ' HB2' HG22 ' A' 1946 ' ' THR . 21.7 tp -69.72 -29.73 67.19 Favored 'General case' 0 CA--C 1.517 -0.295 0 CA-C-O 121.105 0.478 . . . . 0.0 110.561 179.247 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1938 ' ' GLN . . . . . 0.428 ' HG3' ' O ' ' A' 1879 ' ' PRO . 7.9 tt0 -66.79 -29.21 69.1 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-O 121.323 0.582 . . . . 0.0 110.008 -179.865 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1939 ' ' CYS . . . . . . . . . . . . . 57.9 m -86.62 -36.71 18.66 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.588 176.432 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1940 ' ' SER . . . . . . . . . . . . . 20.2 m -118.89 78.66 16.34 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.547 -0.297 . . . . 0.0 110.637 178.513 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1941 ' ' PRO . . . . . 0.524 ' HB3' ' HG3' ' A' 1879 ' ' PRO . 11.0 Cg_exo -73.0 -17.61 24.87 Favored 'Trans proline' 0 C--N 1.344 0.32 0 C-N-CA 122.961 2.44 . . . . 0.0 112.67 -174.292 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1942 ' ' SER . . . . . . . . . . . . . 18.6 m -90.42 -2.7 57.96 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.149 -177.668 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1943 ' ' ASP . . . . . . . . . . . . . 12.2 t70 -90.91 111.36 22.75 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.983 0.42 . . . . 0.0 110.036 -178.527 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1944 ' ' VAL . . . . . . . . . . . . . 9.9 p -74.17 -26.77 21.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.811 -177.072 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1945 ' ' TYR . . . . . . . . . . . . . 90.4 m-85 -69.31 -43.48 73.69 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.514 -0.312 . . . . 0.0 110.707 -177.433 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1946 ' ' THR . . . . . 0.484 HG22 ' HB2' ' A' 1937 ' ' LEU . 65.5 m -58.2 -40.63 82.06 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.338 174.506 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1947 ' ' LYS . . . . . . . . . . . . . 22.7 ttpt -66.45 -42.64 87.29 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.303 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1948 ' ' LYS . . . . . 0.497 ' HE2' ' HA ' ' A' 1948 ' ' LYS . 9.3 mmpt? -51.42 -48.23 62.72 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.645 178.576 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1949 ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -60.06 -38.94 84.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.214 -178.511 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1950 ' ' LEU . . . . . 0.546 HD11 HD22 ' A' 1882 ' ' LEU . 7.8 tt -64.84 -50.47 66.53 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.429 -178.383 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1951 ' ' ILE . . . . . 0.99 HG13 ' HB ' ' A' 1872 ' ' VAL . 1.9 mp -60.63 -43.19 94.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-O 120.893 0.378 . . . . 0.0 110.02 177.384 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1952 ' ' GLU . . . . . 0.499 ' O ' ' HG3' ' A' 1956 ' ' ARG . 6.5 mm-40 -64.77 -29.45 70.42 Favored 'General case' 0 CA--C 1.517 -0.32 0 CA-C-N 115.749 -0.659 . . . . 0.0 111.16 -178.747 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1953 ' ' CYS . . . . . 0.414 ' O ' HG13 ' A' 1957 ' ' VAL . 57.1 m -76.19 -51.26 12.48 Favored 'General case' 0 C--N 1.316 -0.89 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.471 179.093 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1954 ' ' ALA . . . . . 0.625 ' HA ' HG22 ' A' 1957 ' ' VAL . . . -62.26 -37.67 86.34 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 111.857 0.317 . . . . 0.0 111.857 -175.331 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1955 ' ' ARG . . . . . . . . . . . . . 7.1 ppt_? -66.49 -25.07 66.53 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.809 0.338 . . . . 0.0 110.803 179.69 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1956 ' ' ARG . . . . . 0.499 ' HG3' ' O ' ' A' 1952 ' ' GLU . 47.2 mtm105 -82.53 -43.67 16.85 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.885 176.718 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1957 ' ' VAL . . . . . 0.626 ' O ' HG13 ' A' 1961 ' ' VAL . 12.6 m -68.51 -29.26 43.37 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.168 0 C-N-CA 120.928 -0.309 . . . . 0.0 111.294 -176.18 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1958 ' ' SER . . . . . 0.628 ' O ' HG22 ' A' 1961 ' ' VAL . 36.7 t -64.24 -24.48 67.68 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-O 120.986 0.422 . . . . 0.0 110.216 177.243 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1959 ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -75.32 -39.3 59.65 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 109.95 -0.389 . . . . 0.0 109.95 173.46 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1960 ' ' LYS . . . . . 0.551 ' HB3' ' HG ' ' A' 1923 ' ' LEU . 71.0 mmtt -61.62 -41.7 97.84 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.127 -0.488 . . . . 0.0 109.907 178.712 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1961 ' ' VAL . . . . . 0.746 HG21 ' HB2' ' A' 1865 ' ' ALA . 3.2 m -65.89 -34.08 67.89 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.345 178.718 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1962 ' ' SER . . . . . 0.543 ' HA ' HD12 ' A' 1965 ' ' LEU . 53.9 m -67.61 -24.97 65.54 Favored 'General case' 0 N--CA 1.454 -0.272 0 CA-C-O 121.268 0.556 . . . . 0.0 110.109 177.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1963 ' ' HIS . . . . . . . . . . . . . 63.8 m170 -80.03 -27.98 39.38 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.36 179.726 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1964 ' ' VAL . . . . . 0.671 HG11 HD11 ' A' 1896 ' ' LEU . 92.5 t -64.81 -47.59 87.91 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.344 0 N-CA-C 108.583 -0.895 . . . . 0.0 108.583 172.618 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1965 ' ' LEU . . . . . 0.575 ' HG ' ' O ' ' A' 1961 ' ' VAL . 20.7 mt -52.58 -52.83 53.27 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.109 -0.95 . . . . 0.0 109.865 176.689 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1966 ' ' ALA . . . . . . . . . . . . . . . -62.68 -44.35 96.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.763 -0.653 . . . . 0.0 112.069 -178.214 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1967 ' ' ALA . . . . . . . . . . . . . . . -58.5 -46.64 86.28 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-O 120.854 0.359 . . . . 0.0 111.084 179.703 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1968 ' ' LEU . . . . . 0.842 ' HB3' ' HG3' ' A' 1854 ' ' GLN . 4.3 mm? -70.03 -30.09 67.29 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.835 179.189 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1969 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.464 0.263 0 CA-C-O 120.671 0.272 . . . . 0.0 111.252 -179.331 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1850 ' ' PHE . . . . . 0.418 ' HA ' ' HD2' ' A' 1853 ' ' TYR . 94.2 t80 . . . . . 0 N--CA 1.463 0.203 0 CA-C-O 120.924 0.392 . . . . 0.0 111.034 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1851 ' ' VAL . . . . . . . . . . . . . 20.9 m -52.17 -33.73 17.11 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.322 0 CA-C-N 115.791 -0.641 . . . . 0.0 112.073 178.229 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1852 ' ' ASP . . . . . . . . . . . . . 13.8 t70 -76.1 -45.61 33.07 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-O 121.099 0.476 . . . . 0.0 110.576 -178.275 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1853 ' ' TYR . . . . . 0.667 ' O ' ' HG2' ' A' 1857 ' ' MET . 52.2 m-85 -69.43 -34.05 73.88 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.602 -177.47 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1854 ' ' GLN . . . . . 0.678 ' HG3' ' HB3' ' A' 1968 ' ' LEU . 31.0 tt0 -58.57 -60.08 4.38 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.823 178.009 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1855 ' ' THR . . . . . . . . . . . . . 23.9 m -63.71 -30.38 71.49 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.795 -0.639 . . . . 0.0 112.471 -173.037 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1856 ' ' THR . . . . . 0.499 HG22 ' O ' ' A' 1853 ' ' TYR . 15.1 t -69.92 -50.08 45.61 Favored 'General case' 0 C--N 1.325 -0.485 0 C-N-CA 120.341 -0.543 . . . . 0.0 111.395 -176.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1857 ' ' MET . . . . . 0.688 ' HG3' HD11 ' A' 1968 ' ' LEU . 9.6 ptm -82.1 -16.89 48.4 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 112.258 0.466 . . . . 0.0 112.258 -173.205 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1858 ' ' VAL . . . . . . . . . . . . . 30.6 m -68.72 -40.49 81.63 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.187 0 C-N-CA 119.476 -0.889 . . . . 0.0 108.724 173.626 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1859 ' ' ARG . . . . . 0.575 HH21 ' HD3' ' A' 1862 ' ' LYS . 4.5 mmp_? -64.49 -38.32 90.62 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.683 -0.69 . . . . 0.0 109.867 176.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1860 ' ' THR . . . . . . . . . . . . . 19.4 m -64.74 -45.1 87.91 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.801 177.57 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1861 ' ' ALA . . . . . . . . . . . . . . . -62.04 -40.04 94.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.017 0.437 . . . . 0.0 110.571 177.594 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1862 ' ' LYS . . . . . 0.575 ' HD3' HH21 ' A' 1859 ' ' ARG . 44.9 mttm -64.85 -35.87 82.51 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.511 176.721 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1863 ' ' ALA . . . . . . . . . . . . . . . -69.17 -38.73 78.88 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.424 178.396 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1864 ' ' ILE . . . . . 0.405 HD12 HD22 ' A' 1896 ' ' LEU . 71.4 mt -64.26 -43.82 97.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 116.249 -0.432 . . . . 0.0 109.971 174.213 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1865 ' ' ALA . . . . . 0.807 ' HB2' HG21 ' A' 1961 ' ' VAL . . . -58.55 -45.81 88.15 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.62 179.74 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1866 ' ' VAL . . . . . 0.535 ' O ' ' HG3' ' A' 1870 ' ' GLU . 14.7 p -70.26 -34.7 59.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 C-N-CA 120.369 -0.532 . . . . 0.0 110.451 179.666 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1867 ' ' THR . . . . . 0.642 ' O ' ' HG3' ' A' 1871 ' ' MET . 99.6 m -63.71 -52.7 59.38 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.58 0.229 . . . . 0.0 110.839 177.271 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1868 ' ' VAL . . . . . 0.503 ' HA ' ' SD ' ' A' 1871 ' ' MET . 34.1 m -62.52 -35.03 68.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.6 -0.273 . . . . 0.0 110.817 -177.462 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1869 ' ' GLN . . . . . 0.587 ' O ' HG22 ' A' 1872 ' ' VAL . 2.0 pt20 -74.4 -26.58 60.18 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 120.767 -0.373 . . . . 0.0 110.166 -179.488 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1870 ' ' GLU . . . . . 0.535 ' HG3' ' O ' ' A' 1866 ' ' VAL . 46.0 mt-10 -68.36 -37.2 80.23 Favored 'General case' 0 C--O 1.223 -0.337 0 N-CA-C 109.775 -0.454 . . . . 0.0 109.775 172.755 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1871 ' ' MET . . . . . 0.642 ' HG3' ' O ' ' A' 1867 ' ' THR . 41.7 mtp -60.87 -39.38 88.98 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.778 -178.36 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1872 ' ' VAL . . . . . 0.954 ' HB ' HG13 ' A' 1951 ' ' ILE . 1.9 m -73.17 -28.63 26.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 121.43 0.633 . . . . 0.0 110.597 179.162 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1873 ' ' THR . . . . . . . . . . . . . 28.5 m -80.93 -51.53 8.45 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-N 115.167 -0.924 . . . . 0.0 111.445 -178.116 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1874 ' ' LYS . . . . . 0.529 ' HG3' HD11 ' A' 1885 ' ' LEU . 74.0 mmtt -63.42 -36.14 82.73 Favored 'General case' 0 C--O 1.222 -0.378 0 CA-C-N 115.647 -0.706 . . . . 0.0 111.568 -176.262 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1875 ' ' SER . . . . . 0.543 ' HB3' HD11 ' A' 1882 ' ' LEU . 5.5 p -56.42 -16.72 6.23 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 113.273 0.842 . . . . 0.0 113.273 -173.144 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1876 ' ' ASN . . . . . . . . . . . . . 58.3 m-80 -75.18 -38.01 61.01 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.622 0.249 . . . . 0.0 111.484 -179.188 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1877 ' ' THR . . . . . . . . . . . . . 46.1 p -117.14 -30.21 5.71 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.261 0.553 . . . . 0.0 111.473 -177.655 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1878 ' ' SER . . . . . 0.406 ' HB3' ' HB2' ' A' 1881 ' ' GLU . 70.3 m -125.31 94.0 44.06 Favored Pre-proline 0 C--N 1.319 -0.731 0 CA-C-N 115.663 -0.699 . . . . 0.0 111.613 -174.753 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1879 ' ' PRO . . . . . 0.943 ' HA ' HD12 ' A' 1882 ' ' LEU . 38.0 Cg_endo -86.21 -16.53 4.07 Favored 'Trans proline' 0 N--CA 1.444 -1.387 0 C-N-CA 121.213 1.275 . . . . 0.0 111.435 171.135 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1880 ' ' GLU . . . . . 0.505 ' OE1' ' HD2' ' A' 1879 ' ' PRO . 37.9 mp0 -73.57 -31.93 63.88 Favored 'General case' 0 C--O 1.231 0.081 0 CA-C-O 121.205 0.526 . . . . 0.0 109.837 175.348 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1881 ' ' GLU . . . . . 0.406 ' HB2' ' HB3' ' A' 1878 ' ' SER . 6.2 tp10 -69.76 -14.37 62.74 Favored 'General case' 0 N--CA 1.445 -0.703 0 CA-C-O 121.784 0.802 . . . . 0.0 110.497 -177.588 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1882 ' ' LEU . . . . . 0.943 HD12 ' HA ' ' A' 1879 ' ' PRO . 0.7 OUTLIER -77.76 -6.43 54.01 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.327 -0.851 . . . . 0.0 112.296 -175.78 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A 1883 ' ' GLY . . . . . . . . . . . . . . . -71.62 -61.08 3.99 Favored Glycine 0 N--CA 1.447 -0.589 0 C-N-CA 120.264 -0.969 . . . . 0.0 111.362 173.571 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1884 ' ' PRO . . . . . 0.495 ' HA ' ' OD1' ' A' 1887 ' ' ASN . 37.4 Cg_endo -67.78 -10.13 27.79 Favored 'Trans proline' 0 C--N 1.347 0.496 0 C-N-CA 122.734 2.29 . . . . 0.0 112.875 176.44 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1885 ' ' LEU . . . . . 0.529 HD11 ' HG3' ' A' 1874 ' ' LYS . 36.6 mt -82.21 -36.64 27.04 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.994 0.426 . . . . 0.0 110.58 171.266 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1886 ' ' ALA . . . . . . . . . . . . . . . -71.38 -45.97 61.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.252 -178.466 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1887 ' ' ASN . . . . . 0.495 ' OD1' ' HA ' ' A' 1884 ' ' PRO . 18.3 p-10 -67.99 -26.95 66.16 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.136 0.493 . . . . 0.0 109.729 178.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1888 ' ' GLN . . . . . 0.464 ' HG3' HG21 ' A' 1867 ' ' THR . 25.9 tp60 -69.47 -48.7 59.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.611 177.799 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1889 ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -56.04 -49.35 73.98 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 108.985 -0.746 . . . . 0.0 108.985 175.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1890 ' ' THR . . . . . . . . . . . . . 32.6 m -57.34 -45.37 84.39 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.057 -0.974 . . . . 0.0 111.242 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1891 ' ' SER . . . . . . . . . . . . . 28.8 t -64.7 -46.68 81.31 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.01 -178.757 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1892 ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -67.54 -39.82 85.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.926 -177.336 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1893 ' ' TYR . . . . . . . . . . . . . 43.1 t80 -60.53 -44.18 96.37 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.538 -0.301 . . . . 0.0 110.916 178.215 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1894 ' ' GLY . . . . . . . . . . . . . . . -55.01 -42.01 79.4 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.738 -0.744 . . . . 0.0 111.645 178.586 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1895 ' ' ARG . . . . . . . . . . . . . 37.1 ttp180 -64.05 -47.61 79.51 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.492 -0.354 . . . . 0.0 110.539 177.489 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1896 ' ' LEU . . . . . 0.48 HD12 ' HB2' ' A' 1857 ' ' MET . 51.4 tp -57.42 -47.19 82.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.921 177.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1897 ' ' ALA . . . . . . . . . . . . . . . -63.29 -24.42 67.85 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.311 -179.425 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1898 ' ' SER . . . . . . . . . . . . . 48.4 m -80.03 -23.82 41.18 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.124 -178.013 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1899 ' ' GLN . . . . . 0.445 ' O ' ' HD2' ' A' 1902 ' ' PRO . 14.7 mm100 -84.12 -21.38 31.43 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.576 179.824 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1900 ' ' ALA . . . . . . . . . . . . . . . -64.59 -33.96 77.15 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.609 -179.809 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1901 ' ' LYS . . . . . 0.685 ' HB3' ' HD3' ' A' 1902 ' ' PRO . 58.8 tptt -64.77 -57.53 16.1 Favored Pre-proline 0 CA--C 1.542 0.666 0 CA-C-N 116.289 -0.414 . . . . 0.0 112.047 -176.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1902 ' ' PRO . . . . . 0.685 ' HD3' ' HB3' ' A' 1901 ' ' LYS . 6.8 Cg_exo -73.41 -24.18 16.7 Favored 'Trans proline' 0 C--N 1.354 0.861 0 C-N-CA 122.024 1.816 . . . . 0.0 112.5 -177.766 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1903 ' ' ALA . . . . . . . . . . . . . . . -72.51 -35.0 68.02 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.896 0.379 . . . . 0.0 111.025 -179.592 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1904 ' ' ALA . . . . . . . . . . . . . . . -72.33 -35.69 68.65 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.078 0.466 . . . . 0.0 110.56 -176.64 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1905 ' ' VAL . . . . . . . . . . . . . 26.4 m -84.18 -7.45 10.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.309 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1906 ' ' ALA . . . . . . . . . . . . . . . -100.38 -13.11 18.9 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.074 0.464 . . . . 0.0 110.593 177.32 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1907 ' ' ALA . . . . . . . . . . . . . . . -79.23 113.22 17.19 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.916 -0.583 . . . . 0.0 111.027 -179.045 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1908 ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -65.41 -21.14 66.63 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.198 176.77 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1909 ' ' ASN . . . . . 0.469 ' HB3' HD12 ' A' 1912 ' ' ILE . 27.6 t-20 -93.98 143.43 26.36 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.866 -177.319 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1910 ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -61.83 -53.78 51.24 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.452 179.423 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1911 ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 -63.28 -44.96 93.58 Favored 'General case' 0 N--CA 1.447 -0.581 0 CA-C-N 115.646 -0.707 . . . . 0.0 111.958 -172.56 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1912 ' ' ILE . . . . . 0.583 ' O ' HG13 ' A' 1916 ' ' ILE . 60.2 mt -52.25 -54.45 14.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 123.081 0.238 . . . . 0.0 110.75 -177.888 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1913 ' ' GLY . . . . . . . . . . . . . . . -65.43 -32.33 83.16 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.374 -179.834 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1914 ' ' ALA . . . . . 0.405 ' O ' ' HB2' ' A' 1918 ' ' HIS . . . -74.78 -37.3 62.44 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.85 0.357 . . . . 0.0 111.072 -177.276 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1915 ' ' HIS . . . . . 0.55 ' O ' ' HG2' ' A' 1919 ' ' ARG . 87.2 m-70 -76.74 -38.57 53.98 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.309 -177.781 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1916 ' ' ILE . . . . . 0.583 HG13 ' O ' ' A' 1912 ' ' ILE . 97.5 mt -53.04 -58.14 3.4 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.287 0 CA-C-O 120.932 0.396 . . . . 0.0 110.863 179.331 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1917 ' ' LYS . . . . . . . . . . . . . 53.1 mtmt -67.48 -24.85 65.64 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.361 -178.406 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1918 ' ' HIS . . . . . 0.405 ' HB2' ' O ' ' A' 1914 ' ' ALA . 41.9 t-80 -72.09 -46.79 55.42 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.256 179.536 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1919 ' ' ARG . . . . . 0.55 ' HG2' ' O ' ' A' 1915 ' ' HIS . 27.5 mmt180 -71.83 -39.22 69.92 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.655 -174.267 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1920 ' ' VAL . . . . . . . . . . . . . 34.9 m -64.75 -30.0 49.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 C-N-CA 120.742 -0.383 . . . . 0.0 110.395 178.561 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1921 ' ' GLN . . . . . . . . . . . . . 49.1 tt0 -64.75 -45.37 86.7 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.213 0.53 . . . . 0.0 110.12 175.022 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1922 ' ' GLU . . . . . 0.544 ' HB3' ' HD2' ' A' 1960 ' ' LYS . 33.6 mt-10 -66.25 -33.42 75.7 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.379 -0.828 . . . . 0.0 110.893 179.515 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1923 ' ' LEU . . . . . 0.4 HD23 ' HA ' ' A' 1923 ' ' LEU . 43.5 mt -72.11 -32.72 67.23 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.231 177.727 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1924 ' ' GLY . . . . . . . . . . . . . . . -61.18 -47.1 92.81 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.962 -0.637 . . . . 0.0 112.633 -178.789 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1925 ' ' HIS . . . . . . . . . . . . . 35.6 m80 -74.64 -23.87 58.74 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.996 0.427 . . . . 0.0 110.34 -178.751 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1926 ' ' GLY . . . . . . . . . . . . . . . -72.6 -42.27 48.13 Favored Glycine 0 N--CA 1.447 -0.631 0 C-N-CA 120.51 -0.852 . . . . 0.0 111.197 174.491 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1927 ' ' CYS . . . . . . . . . . . . . 44.4 t -61.43 -48.28 81.88 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.55 -0.325 . . . . 0.0 110.924 178.102 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1928 ' ' SER . . . . . . . . . . . . . 13.1 p -61.95 -39.8 93.34 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.824 0.345 . . . . 0.0 111.267 -178.06 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1929 ' ' ALA . . . . . . . . . . . . . . . -67.66 -44.51 77.69 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.914 0.388 . . . . 0.0 110.722 177.835 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1930 ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -63.27 -52.65 61.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.735 -177.625 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1931 ' ' VAL . . . . . . . . . . . . . 32.6 m -62.62 -27.81 43.61 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.211 0 CA-C-O 120.735 0.302 . . . . 0.0 111.619 -175.873 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1932 ' ' THR . . . . . . . . . . . . . 97.3 m -67.77 -44.83 76.53 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-O 120.859 0.361 . . . . 0.0 110.466 176.48 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1933 ' ' LYS . . . . . 0.405 ' HD3' ' HA ' ' A' 1933 ' ' LYS . 34.0 mmtp -75.73 -29.56 58.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.887 179.612 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1934 ' ' ALA . . . . . . . . . . . . . . . -59.46 -47.53 85.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.839 0.352 . . . . 0.0 110.1 174.47 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1935 ' ' GLY . . . . . . . . . . . . . . . -66.82 -33.31 83.75 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.849 -0.691 . . . . 0.0 111.922 176.605 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1936 ' ' ALA . . . . . . . . . . . . . . . -64.36 -52.93 55.84 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.549 0.214 . . . . 0.0 110.558 178.225 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1937 ' ' LEU . . . . . 0.58 ' HB2' HG22 ' A' 1946 ' ' THR . 35.4 tp -64.36 -31.47 72.69 Favored 'General case' 0 CA--C 1.514 -0.436 0 CA-C-O 121.067 0.461 . . . . 0.0 110.448 179.121 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1938 ' ' GLN . . . . . . . . . . . . . 25.8 tt0 -56.86 -38.87 73.33 Favored 'General case' 0 N--CA 1.447 -0.609 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.01 176.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1939 ' ' CYS . . . . . . . . . . . . . 23.6 t -87.24 -5.67 58.86 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.549 -0.75 . . . . 0.0 111.347 179.789 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1940 ' ' SER . . . . . . . . . . . . . 25.1 p -141.45 72.95 25.44 Favored Pre-proline 0 C--N 1.328 -0.368 0 CA-C-O 121.005 0.431 . . . . 0.0 111.698 -176.122 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1941 ' ' PRO . . . . . 0.705 ' HB3' ' HG3' ' A' 1879 ' ' PRO . 25.0 Cg_exo -64.8 -25.59 60.56 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.655 2.236 . . . . 0.0 112.717 -177.304 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1942 ' ' SER . . . . . . . . . . . . . 33.8 p -90.49 4.62 50.57 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.737 -176.363 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1943 ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -100.29 103.43 14.86 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.045 0.45 . . . . 0.0 111.08 179.497 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1944 ' ' VAL . . . . . 0.486 ' O ' ' HG2' ' A' 1948 ' ' LYS . 12.0 p -68.33 -32.31 55.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.524 179.428 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1945 ' ' TYR . . . . . 0.471 ' O ' ' HG3' ' A' 1949 ' ' GLU . 27.6 m-85 -59.24 -46.9 87.26 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.277 -177.886 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1946 ' ' THR . . . . . 0.58 HG22 ' HB2' ' A' 1937 ' ' LEU . 34.7 m -65.48 -31.9 73.23 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 114.815 -1.084 . . . . 0.0 110.897 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1947 ' ' LYS . . . . . 0.426 ' HG3' ' HB2' ' A' 1875 ' ' SER . 28.1 ttpt -71.76 -43.33 65.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.19 177.922 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1948 ' ' LYS . . . . . 0.55 ' HE2' ' HA ' ' A' 1948 ' ' LYS . 9.8 mmpt? -53.58 -51.06 64.2 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.575 -179.201 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1949 ' ' GLU . . . . . 0.471 ' HG3' ' O ' ' A' 1945 ' ' TYR . 38.7 mt-10 -55.38 -43.06 74.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.509 -0.769 . . . . 0.0 110.462 -178.74 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1950 ' ' LEU . . . . . 0.612 HD11 HD22 ' A' 1882 ' ' LEU . 7.4 tt -63.13 -47.37 83.04 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.778 -178.006 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1951 ' ' ILE . . . . . 0.954 HG13 ' HB ' ' A' 1872 ' ' VAL . 1.7 mp -58.33 -47.31 88.11 Favored 'Isoleucine or valine' 0 C--O 1.235 0.341 0 CA-C-O 120.978 0.418 . . . . 0.0 110.25 178.397 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1952 ' ' GLU . . . . . 0.452 ' HG2' ' O ' ' A' 1948 ' ' LYS . 72.0 mm-40 -65.55 -31.31 72.29 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.847 -179.804 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1953 ' ' CYS . . . . . 0.632 ' O ' ' HG2' ' A' 1956 ' ' ARG . 60.8 m -69.82 -39.64 76.39 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.733 179.568 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1954 ' ' ALA . . . . . 0.418 ' HB3' ' CG1' ' A' 1872 ' ' VAL . . . -70.95 -42.54 69.65 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.709 0.29 . . . . 0.0 111.543 -177.424 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1955 ' ' ARG . . . . . 0.449 ' O ' ' HG3' ' A' 1959 ' ' GLU . 2.7 ptp180 -69.82 -24.86 63.53 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.698 0.285 . . . . 0.0 111.534 -178.523 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1956 ' ' ARG . . . . . 0.632 ' HG2' ' O ' ' A' 1953 ' ' CYS . 10.0 ptm180 -81.47 -24.52 36.72 Favored 'General case' 0 C--N 1.324 -0.519 0 C-N-CA 120.413 -0.515 . . . . 0.0 110.453 -179.835 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1957 ' ' VAL . . . . . 0.404 ' O ' HG13 ' A' 1961 ' ' VAL . 16.4 m -89.2 -28.31 5.21 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.147 0 C-N-CA 120.665 -0.414 . . . . 0.0 111.019 176.206 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1958 ' ' SER . . . . . 0.576 ' O ' HG22 ' A' 1961 ' ' VAL . 11.9 p -62.6 -31.26 72.05 Favored 'General case' 0 C--O 1.231 0.096 0 CA-C-O 121.04 0.447 . . . . 0.0 110.584 178.385 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1959 ' ' GLU . . . . . 0.449 ' HG3' ' O ' ' A' 1955 ' ' ARG . 47.6 mt-10 -61.14 -42.42 98.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.639 0.733 . . . . 0.0 109.503 172.903 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1960 ' ' LYS . . . . . 0.544 ' HD2' ' HB3' ' A' 1922 ' ' GLU . 54.6 mtmt -77.0 -26.82 54.31 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.207 -0.906 . . . . 0.0 112.12 -172.341 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1961 ' ' VAL . . . . . 0.807 HG21 ' HB2' ' A' 1865 ' ' ALA . 4.3 m -68.79 -33.74 61.01 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.201 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 174.051 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1962 ' ' SER . . . . . 0.645 ' HA ' HD12 ' A' 1965 ' ' LEU . 19.2 t -70.67 -24.71 62.74 Favored 'General case' 0 N--CA 1.451 -0.383 0 CA-C-N 115.652 -0.703 . . . . 0.0 109.791 178.844 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1963 ' ' HIS . . . . . 0.419 ' ND1' ' HA ' ' A' 1960 ' ' LYS . 46.2 m170 -73.06 -28.47 62.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.107 178.714 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1964 ' ' VAL . . . . . 0.47 HG11 HD11 ' A' 1896 ' ' LEU . 89.2 t -66.99 -45.22 87.6 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.172 0 N-CA-C 108.906 -0.775 . . . . 0.0 108.906 172.314 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1965 ' ' LEU . . . . . 0.645 HD12 ' HA ' ' A' 1962 ' ' SER . 52.3 mt -53.95 -52.19 61.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.036 -0.984 . . . . 0.0 110.724 178.685 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1966 ' ' ALA . . . . . . . . . . . . . . . -61.71 -46.47 89.51 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.85 -0.614 . . . . 0.0 111.724 -178.069 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1967 ' ' ALA . . . . . . . . . . . . . . . -59.7 -42.57 93.33 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.022 0.439 . . . . 0.0 111.411 -177.561 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1968 ' ' LEU . . . . . 0.688 HD11 ' HG3' ' A' 1857 ' ' MET . 60.9 mt -69.04 -39.86 78.92 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.175 -178.043 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1969 ' ' GLN . . . . . . . . . . . . . 75.7 mt-30 . . . . . 0 C--N 1.326 -0.441 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.442 -176.843 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A 1850 ' ' PHE . . . . . 0.424 ' HA ' ' HD2' ' A' 1853 ' ' TYR . 77.1 t80 . . . . . 0 C--O 1.23 0.058 0 CA-C-O 121.256 0.55 . . . . 0.0 110.395 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1851 ' ' VAL . . . . . . . . . . . . . 18.8 m -59.1 -32.27 47.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 115.229 -0.896 . . . . 0.0 112.391 -177.77 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1852 ' ' ASP . . . . . . . . . . . . . 27.8 t70 -74.47 -47.59 32.48 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.763 0.316 . . . . 0.0 110.534 -177.667 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1853 ' ' TYR . . . . . 0.491 ' O ' ' HG2' ' A' 1857 ' ' MET . 27.3 m-85 -63.04 -44.38 96.03 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 109.185 -0.672 . . . . 0.0 109.185 177.695 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1854 ' ' GLN . . . . . 0.803 ' HG3' ' HB3' ' A' 1968 ' ' LEU . 24.4 tt0 -50.21 -59.97 3.43 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 115.2 -0.909 . . . . 0.0 110.66 175.757 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1855 ' ' THR . . . . . 0.776 ' O ' ' HG2' ' A' 1859 ' ' ARG . 27.7 m -58.73 -36.25 74.0 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.996 -178.46 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1856 ' ' THR . . . . . . . . . . . . . 1.3 m -63.43 -58.2 7.81 Favored 'General case' 0 N--CA 1.441 -0.922 0 N-CA-C 112.24 0.459 . . . . 0.0 112.24 -178.284 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1857 ' ' MET . . . . . 0.491 ' HG2' ' O ' ' A' 1853 ' ' TYR . 6.1 ptm -77.13 -18.06 58.18 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 111.94 0.348 . . . . 0.0 111.94 -171.136 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1858 ' ' VAL . . . . . 0.504 ' O ' ' HG3' ' A' 1862 ' ' LYS . 26.3 m -72.25 -31.7 40.13 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.112 0 C-N-CA 119.657 -0.817 . . . . 0.0 109.662 171.697 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1859 ' ' ARG . . . . . 0.776 ' HG2' ' O ' ' A' 1855 ' ' THR . 17.5 mmt180 -70.96 -36.47 72.57 Favored 'General case' 0 CA--C 1.52 -0.188 0 N-CA-C 109.211 -0.662 . . . . 0.0 109.211 174.636 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1860 ' ' THR . . . . . 0.483 HG21 ' HB2' ' A' 1896 ' ' LEU . 9.9 m -61.5 -45.04 95.88 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.334 -0.848 . . . . 0.0 110.42 177.317 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1861 ' ' ALA . . . . . 0.46 ' HB1' ' HB ' ' A' 1961 ' ' VAL . . . -59.52 -40.88 88.6 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.761 178.087 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1862 ' ' LYS . . . . . 0.504 ' HG3' ' O ' ' A' 1858 ' ' VAL . 56.9 mttm -64.73 -43.12 94.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.497 177.669 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1863 ' ' ALA . . . . . . . . . . . . . . . -61.56 -41.87 98.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.47 178.672 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1864 ' ' ILE . . . . . 0.636 ' O ' HG13 ' A' 1868 ' ' VAL . 68.5 mt -63.91 -46.07 95.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.469 176.135 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1865 ' ' ALA . . . . . 0.838 ' HB2' HG21 ' A' 1961 ' ' VAL . . . -58.66 -41.0 85.09 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 112.179 0.437 . . . . 0.0 112.179 -177.735 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1866 ' ' VAL . . . . . . . . . . . . . 12.1 p -72.78 -32.68 41.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 C-N-CA 120.358 -0.537 . . . . 0.0 110.234 179.588 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1867 ' ' THR . . . . . 0.68 ' O ' ' HG3' ' A' 1871 ' ' MET . 86.0 m -63.28 -54.33 38.97 Favored 'General case' 0 C--N 1.332 -0.19 0 C-N-CA 121.31 -0.156 . . . . 0.0 110.733 177.118 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1868 ' ' VAL . . . . . 0.636 HG13 ' O ' ' A' 1864 ' ' ILE . 3.3 m -58.05 -32.65 44.47 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.221 0 CA-C-O 121.662 0.744 . . . . 0.0 110.39 -177.769 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1869 ' ' GLN . . . . . . . . . . . . . 6.9 tp-100 -78.21 -33.83 49.7 Favored 'General case' 0 N--CA 1.423 -1.786 0 CA-C-N 115.0 -1.0 . . . . 0.0 110.39 -178.024 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1870 ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 -65.22 -40.86 94.68 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 110.024 -0.361 . . . . 0.0 110.024 171.672 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1871 ' ' MET . . . . . 0.68 ' HG3' ' O ' ' A' 1867 ' ' THR . 52.3 mtp -58.02 -42.45 85.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.863 -178.889 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1872 ' ' VAL . . . . . 0.766 ' HB ' HG13 ' A' 1951 ' ' ILE . 15.5 m -77.14 -28.47 16.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.437 179.888 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1873 ' ' THR . . . . . . . . . . . . . 87.2 m -73.49 -44.85 56.92 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.045 0.45 . . . . 0.0 110.766 177.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1874 ' ' LYS . . . . . . . . . . . . . 69.7 mmtt -66.91 -38.35 86.05 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.679 -177.897 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1875 ' ' SER . . . . . 0.56 ' HB3' HD11 ' A' 1882 ' ' LEU . 4.4 p -62.73 -9.96 11.06 Favored 'General case' 0 CA--C 1.534 0.329 0 N-CA-C 113.153 0.797 . . . . 0.0 113.153 -172.32 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1876 ' ' ASN . . . . . . . . . . . . . 60.5 m-80 -69.79 -29.75 67.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.796 0.332 . . . . 0.0 110.54 177.732 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1877 ' ' THR . . . . . . . . . . . . . 25.1 p -133.28 -32.76 1.16 Allowed 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 112.391 0.515 . . . . 0.0 112.391 -177.11 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1878 ' ' SER . . . . . . . . . . . . . 54.8 m -124.02 109.25 29.77 Favored Pre-proline 0 C--N 1.325 -0.471 0 CA-C-O 120.785 0.326 . . . . 0.0 111.693 -170.716 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1879 ' ' PRO . . . . . 0.918 ' HA ' HD12 ' A' 1882 ' ' LEU . 34.0 Cg_endo -91.83 -14.35 1.55 Allowed 'Trans proline' 0 N--CA 1.443 -1.466 0 C-N-CA 122.183 1.922 . . . . 0.0 112.64 174.678 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1880 ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -77.03 -33.02 57.43 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.884 0.374 . . . . 0.0 110.468 177.36 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1881 ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -61.73 -15.37 40.15 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.842 177.105 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1882 ' ' LEU . . . . . 0.918 HD12 ' HA ' ' A' 1879 ' ' PRO . 0.6 OUTLIER -81.85 -7.51 59.61 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.309 -0.859 . . . . 0.0 112.018 -175.038 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A 1883 ' ' GLY . . . . . . . . . . . . . . . -71.7 -60.34 4.34 Favored Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 120.722 -0.752 . . . . 0.0 111.683 176.09 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1884 ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -55.67 -36.87 95.62 Favored 'Trans proline' 0 C--N 1.347 0.473 0 C-N-CA 122.612 2.208 . . . . 0.0 112.177 177.169 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1885 ' ' LEU . . . . . 0.509 ' HB3' ' HG2' ' A' 1871 ' ' MET . 94.8 mt -67.68 -42.57 81.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.636 -178.077 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1886 ' ' ALA . . . . . . . . . . . . . . . -62.22 -46.67 87.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.052 0.454 . . . . 0.0 110.185 177.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1887 ' ' ASN . . . . . . . . . . . . . 4.5 m-20 -62.2 -34.77 77.09 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.584 -0.734 . . . . 0.0 110.69 177.475 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1888 ' ' GLN . . . . . . . . . . . . . 17.8 tp60 -70.48 -48.95 53.31 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.841 -177.634 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1889 ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -56.98 -47.17 81.4 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.303 -0.629 . . . . 0.0 109.303 177.915 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1890 ' ' THR . . . . . . . . . . . . . 52.8 m -59.46 -43.29 93.22 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.106 -0.952 . . . . 0.0 111.13 179.212 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1891 ' ' SER . . . . . . . . . . . . . 32.6 t -65.39 -47.63 75.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.488 -0.324 . . . . 0.0 111.19 -178.516 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1892 ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -66.58 -36.21 82.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.594 -0.275 . . . . 0.0 111.179 -177.518 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1893 ' ' TYR . . . . . . . . . . . . . 36.4 t80 -59.29 -40.75 87.12 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.625 0.25 . . . . 0.0 110.744 177.011 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1894 ' ' GLY . . . . . . . . . . . . . . . -58.33 -37.04 86.24 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.789 -0.719 . . . . 0.0 111.729 178.219 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1895 ' ' ARG . . . . . . . . . . . . . 13.4 ttp180 -70.28 -46.72 63.76 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.922 0.391 . . . . 0.0 110.174 177.669 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1896 ' ' LEU . . . . . 0.485 HD12 ' HB2' ' A' 1857 ' ' MET . 47.5 tp -56.77 -50.66 71.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.696 -0.684 . . . . 0.0 111.504 179.603 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1897 ' ' ALA . . . . . . . . . . . . . . . -64.47 -24.22 67.54 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.82 -176.281 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1898 ' ' SER . . . . . . . . . . . . . 54.1 m -81.34 -41.81 21.48 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.794 0.33 . . . . 0.0 110.438 -175.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1899 ' ' GLN . . . . . 0.429 ' HA ' ' OE1' ' A' 1899 ' ' GLN . 16.9 mm-40 -69.21 -12.47 61.7 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.887 -179.561 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1900 ' ' ALA . . . . . 0.402 ' HA ' ' HE1' ' A' 1857 ' ' MET . . . -66.68 -27.21 67.47 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.219 177.842 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1901 ' ' LYS . . . . . 0.492 ' HB3' ' HD3' ' A' 1902 ' ' PRO . 1.7 tmtp? -75.58 -58.39 1.42 Allowed Pre-proline 0 CA--C 1.54 0.584 0 C-N-CA 120.818 -0.353 . . . . 0.0 111.029 -177.471 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1902 ' ' PRO . . . . . 0.492 ' HD3' ' HB3' ' A' 1901 ' ' LYS . 36.6 Cg_endo -66.07 -23.47 53.48 Favored 'Trans proline' 0 C--N 1.356 0.932 0 C-N-CA 122.043 1.829 . . . . 0.0 112.762 -178.658 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1903 ' ' ALA . . . . . . . . . . . . . . . -76.05 -31.84 59.01 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.975 0.417 . . . . 0.0 110.596 177.074 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1904 ' ' ALA . . . . . . . . . . . . . . . -71.77 -31.04 66.21 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.746 -176.348 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1905 ' ' VAL . . . . . . . . . . . . . 35.2 m -92.21 2.49 8.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 115.802 -0.635 . . . . 0.0 111.388 -178.57 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1906 ' ' ALA . . . . . . . . . . . . . . . -119.26 -2.41 10.67 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.847 178.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1907 ' ' ALA . . . . . . . . . . . . . . . -75.0 136.73 41.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.956 -178.378 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1908 ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -60.9 -26.05 67.17 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.904 -0.589 . . . . 0.0 112.382 -177.894 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1909 ' ' ASN . . . . . 0.49 ' OD1' ' HG3' ' A' 1911 ' ' GLU . 14.1 t-20 -137.14 151.5 48.9 Favored 'General case' 0 C--N 1.323 -0.549 0 C-N-CA 120.706 -0.398 . . . . 0.0 111.412 -172.855 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1910 ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -47.77 -53.82 14.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.241 -0.89 . . . . 0.0 111.035 173.316 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1911 ' ' GLU . . . . . 0.49 ' HG3' ' OD1' ' A' 1909 ' ' ASN . 28.4 mt-10 -54.82 -56.67 16.9 Favored 'General case' 0 CA--C 1.515 -0.377 0 CA-C-O 121.296 0.57 . . . . 0.0 111.098 -177.371 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1912 ' ' ILE . . . . . 0.484 HD12 ' CB ' ' A' 1909 ' ' ASN . 35.6 mt -53.2 -39.58 34.93 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.739 0 CA-C-N 114.575 -1.193 . . . . 0.0 111.282 -177.137 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1913 ' ' GLY . . . . . 0.418 ' HA2' HD12 ' A' 1916 ' ' ILE . . . -81.32 -29.97 38.84 Favored Glycine 0 N--CA 1.448 -0.52 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.767 179.04 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1914 ' ' ALA . . . . . . . . . . . . . . . -74.52 -38.92 62.67 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.68 0.276 . . . . 0.0 111.039 -177.28 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1915 ' ' HIS . . . . . 0.49 ' O ' ' HG2' ' A' 1919 ' ' ARG . 87.0 m-70 -62.39 -31.7 72.42 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.637 -179.161 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1916 ' ' ILE . . . . . 0.434 HG13 ' O ' ' A' 1912 ' ' ILE . 82.5 mt -56.06 -58.38 5.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.14 178.688 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1917 ' ' LYS . . . . . 0.411 ' HE2' ' HB2' ' A' 1917 ' ' LYS . 3.8 mppt? -65.1 -26.82 68.38 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-O 120.947 0.404 . . . . 0.0 111.326 -177.131 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1918 ' ' HIS . . . . . 0.418 ' O ' ' HG2' ' A' 1922 ' ' GLU . 0.2 OUTLIER -72.42 -41.41 66.23 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.752 0.31 . . . . 0.0 110.909 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A 1919 ' ' ARG . . . . . 0.49 ' HG2' ' O ' ' A' 1915 ' ' HIS . 23.5 mmt180 -81.5 -26.41 35.18 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 112.126 0.417 . . . . 0.0 112.126 -173.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1920 ' ' VAL . . . . . . . . . . . . . 34.9 m -72.42 -31.85 39.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 C-N-CA 120.227 -0.589 . . . . 0.0 110.184 175.602 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1921 ' ' GLN . . . . . . . . . . . . . 23.6 tp60 -67.03 -29.72 69.61 Favored 'General case' 0 C--O 1.236 0.373 0 CA-C-O 121.281 0.563 . . . . 0.0 109.939 176.142 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1922 ' ' GLU . . . . . 0.734 ' HB3' ' HD2' ' A' 1960 ' ' LYS . 11.6 mm-40 -59.95 -53.48 57.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.536 -0.757 . . . . 0.0 110.669 176.694 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1923 ' ' LEU . . . . . . . . . . . . . 49.0 mt -67.12 -24.0 65.88 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.754 178.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1924 ' ' GLY . . . . . . . . . . . . . . . -60.53 -40.54 97.92 Favored Glycine 0 N--CA 1.453 -0.209 0 C-N-CA 121.07 -0.585 . . . . 0.0 112.212 175.216 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1925 ' ' HIS . . . . . . . . . . . . . 39.4 m80 -76.11 -33.3 59.46 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.176 0.512 . . . . 0.0 109.936 177.588 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1926 ' ' GLY . . . . . 0.408 ' HA3' HG12 ' A' 1957 ' ' VAL . . . -72.38 -52.7 9.96 Favored Glycine 0 N--CA 1.447 -0.627 0 CA-C-N 115.522 -0.763 . . . . 0.0 113.196 -176.735 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1927 ' ' CYS . . . . . . . . . . . . . 24.1 p -60.15 -44.66 94.79 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.861 0.331 . . . . 0.0 111.117 -176.467 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1928 ' ' SER . . . . . . . . . . . . . 40.4 t -58.37 -42.34 86.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.635 -179.719 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1929 ' ' ALA . . . . . . . . . . . . . . . -70.55 -43.77 68.85 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.915 0.388 . . . . 0.0 110.803 178.377 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1930 ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -63.34 -48.37 78.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.207 -177.022 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1931 ' ' VAL . . . . . . . . . . . . . 32.5 m -64.86 -28.86 45.78 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 CA-C-O 120.755 0.312 . . . . 0.0 110.949 -177.746 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1932 ' ' THR . . . . . . . . . . . . . 58.7 m -68.93 -40.84 78.78 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.192 176.178 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1933 ' ' LYS . . . . . . . . . . . . . 72.5 mmtt -71.59 -35.66 70.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.339 178.324 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1934 ' ' ALA . . . . . . . . . . . . . . . -61.62 -48.33 81.36 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.381 175.309 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1935 ' ' GLY . . . . . . . . . . . . . . . -67.77 -32.63 78.32 Favored Glycine 0 N--CA 1.449 -0.47 0 C-N-CA 121.058 -0.592 . . . . 0.0 112.269 178.395 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1936 ' ' ALA . . . . . . . . . . . . . . . -67.79 -47.13 69.98 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.605 0.24 . . . . 0.0 110.793 178.045 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1937 ' ' LEU . . . . . 0.425 ' HB2' HG22 ' A' 1946 ' ' THR . 20.3 tp -69.92 -29.14 66.23 Favored 'General case' 0 CA--C 1.514 -0.413 0 CA-C-O 121.171 0.51 . . . . 0.0 110.531 179.662 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1938 ' ' GLN . . . . . 0.554 ' HA ' ' HB2' ' A' 1879 ' ' PRO . 36.8 tt0 -68.8 -28.62 66.93 Favored 'General case' 0 N--CA 1.443 -0.813 0 N-CA-C 109.558 -0.534 . . . . 0.0 109.558 177.591 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1939 ' ' CYS . . . . . . . . . . . . . 41.9 t -80.8 -48.27 12.7 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.661 -0.699 . . . . 0.0 109.954 175.491 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1940 ' ' SER . . . . . . . . . . . . . 24.5 m -112.9 90.63 15.92 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.098 176.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1941 ' ' PRO . . . . . 0.419 ' HB3' ' HG3' ' A' 1879 ' ' PRO . 94.2 Cg_endo -80.57 -8.13 13.64 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.568 2.179 . . . . 0.0 113.614 -172.543 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1942 ' ' SER . . . . . . . . . . . . . 9.7 t -106.96 -6.64 17.4 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.748 0.308 . . . . 0.0 110.84 -176.12 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1943 ' ' ASP . . . . . . . . . . . . . 18.1 t70 -81.78 107.48 14.55 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.886 0.374 . . . . 0.0 110.149 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1944 ' ' VAL . . . . . . . . . . . . . 11.1 p -67.59 -33.62 63.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.09 -175.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1945 ' ' TYR . . . . . . . . . . . . . 95.5 m-85 -60.43 -43.7 96.52 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.935 0.398 . . . . 0.0 110.311 -178.293 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1946 ' ' THR . . . . . 0.425 HG22 ' HB2' ' A' 1937 ' ' LEU . 63.7 m -60.17 -41.06 92.04 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.663 176.191 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1947 ' ' LYS . . . . . . . . . . . . . 18.1 ttpt -63.33 -44.66 94.25 Favored 'General case' 0 N--CA 1.455 -0.196 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.458 -179.132 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1948 ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -60.94 -41.89 97.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.507 -0.315 . . . . 0.0 110.442 -176.453 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1949 ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -60.77 -28.71 68.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.828 178.779 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1950 ' ' LEU . . . . . 0.48 HD11 HD22 ' A' 1882 ' ' LEU . 6.4 tt -74.78 -54.91 6.46 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.113 179.497 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1951 ' ' ILE . . . . . 0.766 HG13 ' HB ' ' A' 1872 ' ' VAL . 2.1 mp -61.76 -48.08 90.33 Favored 'Isoleucine or valine' 0 C--O 1.234 0.285 0 CA-C-O 120.989 0.423 . . . . 0.0 111.122 -178.447 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1952 ' ' GLU . . . . . 0.588 ' O ' ' HG2' ' A' 1956 ' ' ARG . 33.5 mt-10 -68.2 -19.0 64.73 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.706 -175.401 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1953 ' ' CYS . . . . . . . . . . . . . 10.1 t -88.01 -36.55 16.95 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 121.004 -0.278 . . . . 0.0 110.754 178.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1954 ' ' ALA . . . . . 0.415 ' O ' HG22 ' A' 1957 ' ' VAL . . . -63.06 -33.58 75.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.048 0.451 . . . . 0.0 111.172 -178.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1955 ' ' ARG . . . . . . . . . . . . . 6.9 ptm180 -72.24 -22.58 61.22 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.626 177.464 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1956 ' ' ARG . . . . . 0.588 ' HG2' ' O ' ' A' 1952 ' ' GLU . 24.6 mmm180 -75.33 -38.83 59.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.198 0.523 . . . . 0.0 109.606 177.289 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1957 ' ' VAL . . . . . 0.549 ' O ' HG13 ' A' 1961 ' ' VAL . 6.6 m -79.83 -26.3 12.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.247 -177.231 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1958 ' ' SER . . . . . 0.531 ' O ' HG22 ' A' 1961 ' ' VAL . 6.8 p -64.39 -24.74 67.74 Favored 'General case' 0 CA--C 1.532 0.255 0 CA-C-O 121.182 0.515 . . . . 0.0 110.258 177.154 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1959 ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -70.03 -40.99 74.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.21 0.529 . . . . 0.0 110.211 172.204 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1960 ' ' LYS . . . . . 0.734 ' HD2' ' HB3' ' A' 1922 ' ' GLU . 72.1 mmtt -66.43 -37.76 85.9 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.859 -175.675 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1961 ' ' VAL . . . . . 0.838 HG21 ' HB2' ' A' 1865 ' ' ALA . 2.8 m -63.56 -35.11 71.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 120.938 0.399 . . . . 0.0 110.142 -179.829 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1962 ' ' SER . . . . . 0.525 ' HA ' HD12 ' A' 1965 ' ' LEU . 46.8 t -69.32 -27.55 65.47 Favored 'General case' 0 N--CA 1.452 -0.355 0 CA-C-N 115.921 -0.581 . . . . 0.0 109.937 177.804 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1963 ' ' HIS . . . . . . . . . . . . . 56.5 m170 -75.63 -31.39 59.85 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.916 -0.583 . . . . 0.0 110.101 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1964 ' ' VAL . . . . . 0.436 ' O ' HD23 ' A' 1968 ' ' LEU . 94.9 t -63.69 -43.37 98.04 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.226 0 N-CA-C 109.091 -0.707 . . . . 0.0 109.091 171.848 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1965 ' ' LEU . . . . . 0.592 ' HG ' ' O ' ' A' 1961 ' ' VAL . 63.0 mt -57.73 -47.52 82.22 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.369 -0.832 . . . . 0.0 110.456 178.498 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1966 ' ' ALA . . . . . . . . . . . . . . . -67.83 -42.61 81.19 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.757 -178.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1967 ' ' ALA . . . . . . . . . . . . . . . -60.56 -46.59 89.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.454 -177.538 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1968 ' ' LEU . . . . . 0.803 ' HB3' ' HG3' ' A' 1854 ' ' GLN . 4.2 mm? -73.26 -38.36 66.0 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.497 -177.906 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1969 ' ' GLN . . . . . . . . . . . . . 46.6 mt-30 . . . . . 0 C--O 1.235 0.329 0 CA-C-O 121.03 0.443 . . . . 0.0 111.232 -177.028 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A 1850 ' ' PHE . . . . . . . . . . . . . 86.5 t80 . . . . . 0 CA--C 1.527 0.067 0 CA-C-O 120.765 0.317 . . . . 0.0 111.595 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A 1851 ' ' VAL . . . . . . . . . . . . . 16.8 m -57.98 -29.97 37.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 N-CA-C 112.63 0.604 . . . . 0.0 112.63 -175.8 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1852 ' ' ASP . . . . . . . . . . . . . 15.7 m-20 -70.17 -51.85 27.99 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 121.042 0.449 . . . . 0.0 110.358 -179.624 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1853 ' ' TYR . . . . . . . . . . . . . 10.0 m-85 -69.81 -33.47 72.38 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.62 -0.718 . . . . 0.0 109.866 -179.039 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1854 ' ' GLN . . . . . 1.014 ' HG3' ' HB3' ' A' 1968 ' ' LEU . 54.3 tt0 -55.65 -58.25 8.6 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.225 -0.898 . . . . 0.0 110.704 176.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1855 ' ' THR . . . . . 0.498 ' O ' ' HG2' ' A' 1859 ' ' ARG . 14.5 m -60.34 -26.75 66.81 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.556 -0.747 . . . . 0.0 111.051 -178.604 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1856 ' ' THR . . . . . 0.505 HG21 ' HG3' ' A' 1899 ' ' GLN . 1.2 m -71.51 -58.58 3.37 Favored 'General case' 0 N--CA 1.444 -0.745 0 N-CA-C 112.475 0.546 . . . . 0.0 112.475 -176.57 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1857 ' ' MET . . . . . 0.699 ' SD ' HD21 ' A' 1968 ' ' LEU . 5.9 ptp -76.94 -18.77 58.04 Favored 'General case' 0 C--N 1.331 -0.229 0 C-N-CA 120.292 -0.563 . . . . 0.0 111.958 -170.27 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1858 ' ' VAL . . . . . 0.455 ' O ' ' HG3' ' A' 1862 ' ' LYS . 23.9 m -66.63 -34.27 68.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 C-N-CA 119.683 -0.807 . . . . 0.0 109.216 173.111 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1859 ' ' ARG . . . . . 0.498 ' HG2' ' O ' ' A' 1855 ' ' THR . 25.7 mmm180 -69.99 -44.65 68.95 Favored 'General case' 0 CA--C 1.52 -0.182 0 CA-C-N 116.105 -0.498 . . . . 0.0 109.938 176.563 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1860 ' ' THR . . . . . . . . . . . . . 6.3 m -61.41 -41.05 96.54 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.846 179.483 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1861 ' ' ALA . . . . . . . . . . . . . . . -63.15 -42.21 99.4 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.442 -0.345 . . . . 0.0 110.88 178.287 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1862 ' ' LYS . . . . . 0.455 ' HG3' ' O ' ' A' 1858 ' ' VAL . 59.1 mttm -62.71 -36.48 83.08 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.291 177.333 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1863 ' ' ALA . . . . . . . . . . . . . . . -66.58 -44.7 81.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.299 178.733 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1864 ' ' ILE . . . . . . . . . . . . . 77.9 mt -60.56 -42.81 92.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.147 176.159 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1865 ' ' ALA . . . . . 0.704 ' HB2' HG21 ' A' 1961 ' ' VAL . . . -60.12 -40.4 89.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.891 -179.433 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1866 ' ' VAL . . . . . 0.639 ' HA ' ' HG2' ' A' 1869 ' ' GLN . 8.3 p -78.38 -29.73 15.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 C-N-CA 120.322 -0.551 . . . . 0.0 110.528 179.551 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1867 ' ' THR . . . . . 0.636 ' O ' ' HG3' ' A' 1871 ' ' MET . 62.7 m -65.35 -51.0 63.47 Favored 'General case' 0 C--N 1.332 -0.186 0 C-N-CA 120.996 -0.281 . . . . 0.0 110.412 174.812 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1868 ' ' VAL . . . . . 0.481 ' O ' HG13 ' A' 1872 ' ' VAL . 32.6 m -63.13 -36.19 74.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.473 -0.33 . . . . 0.0 111.023 -177.839 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1869 ' ' GLN . . . . . 0.639 ' HG2' ' HA ' ' A' 1866 ' ' VAL . 2.2 pt20 -72.58 -30.57 64.5 Favored 'General case' 0 N--CA 1.452 -0.351 0 C-N-CA 120.498 -0.481 . . . . 0.0 110.116 179.457 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1870 ' ' GLU . . . . . 0.647 ' O ' ' HG2' ' A' 1874 ' ' LYS . 24.9 mt-10 -60.97 -44.09 97.83 Favored 'General case' 0 CA--C 1.515 -0.376 0 N-CA-C 109.812 -0.44 . . . . 0.0 109.812 172.662 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1871 ' ' MET . . . . . 0.636 ' HG3' ' O ' ' A' 1867 ' ' THR . 35.5 mtp -57.94 -43.23 86.2 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.961 -177.444 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1872 ' ' VAL . . . . . 0.844 ' HB ' HG13 ' A' 1951 ' ' ILE . 1.5 m -69.12 -29.07 41.62 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.317 0 CA-C-O 121.479 0.657 . . . . 0.0 110.555 179.357 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1873 ' ' THR . . . . . . . . . . . . . 91.8 m -77.81 -45.77 23.48 Favored 'General case' 0 N--CA 1.443 -0.822 0 CA-C-N 114.882 -1.054 . . . . 0.0 110.98 -178.463 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1874 ' ' LYS . . . . . 0.647 ' HG2' ' O ' ' A' 1870 ' ' GLU . 33.8 mmtp -67.48 -31.61 71.86 Favored 'General case' 0 C--O 1.219 -0.537 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.241 -176.186 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1875 ' ' SER . . . . . . . . . . . . . 46.4 m -63.38 -5.81 4.03 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 112.232 0.456 . . . . 0.0 112.232 -176.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1876 ' ' ASN . . . . . . . . . . . . . 16.7 m120 -88.43 -23.78 23.21 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.751 -0.204 . . . . 0.0 111.133 179.142 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1877 ' ' THR . . . . . . . . . . . . . 16.9 p -136.83 -43.35 0.59 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.929 0.395 . . . . 0.0 111.788 -176.873 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1878 ' ' SER . . . . . 0.419 ' HB3' ' HG2' ' A' 1881 ' ' GLU . 64.5 m -111.41 90.77 12.63 Favored Pre-proline 0 C--N 1.322 -0.611 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.974 -176.66 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1879 ' ' PRO . . . . . 0.887 ' HA ' HD12 ' A' 1882 ' ' LEU . 12.3 Cg_endo -94.02 15.45 1.27 Allowed 'Trans proline' 0 N--CA 1.447 -1.25 0 C-N-CA 122.185 1.923 . . . . 0.0 111.769 176.677 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1880 ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -111.22 -17.72 13.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.959 -0.564 . . . . 0.0 112.314 179.6 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1881 ' ' GLU . . . . . 0.419 ' HG2' ' HB3' ' A' 1878 ' ' SER . 8.6 pt-20 -90.77 -10.83 41.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.137 0.494 . . . . 0.0 111.051 179.222 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1882 ' ' LEU . . . . . 0.887 HD12 ' HA ' ' A' 1879 ' ' PRO . 0.8 OUTLIER -59.61 -30.46 68.71 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 113.02 0.748 . . . . 0.0 113.02 -177.205 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A 1883 ' ' GLY . . . . . . . . . . . . . . . -57.01 -60.78 8.41 Favored Glycine 0 CA--C 1.519 0.33 0 C-N-CA 120.898 -0.667 . . . . 0.0 112.055 176.242 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1884 ' ' PRO . . . . . . . . . . . . . 71.0 Cg_exo -49.68 -44.08 37.29 Favored 'Trans proline' 0 C--N 1.347 0.451 0 C-N-CA 122.767 2.311 . . . . 0.0 112.454 171.668 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1885 ' ' LEU . . . . . 0.567 HD11 ' HG3' ' A' 1874 ' ' LYS . 64.9 mt -60.55 -41.37 94.38 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.799 0.333 . . . . 0.0 111.318 -179.788 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1886 ' ' ALA . . . . . 0.419 ' HB1' ' HB ' ' A' 1931 ' ' VAL . . . -64.22 -41.79 96.86 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.128 0.49 . . . . 0.0 110.372 177.527 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1887 ' ' ASN . . . . . . . . . . . . . 52.0 t30 -63.73 -39.02 93.27 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.84 -0.618 . . . . 0.0 109.864 176.313 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1888 ' ' GLN . . . . . . . . . . . . . 22.9 tp60 -61.23 -49.44 77.11 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.415 -0.811 . . . . 0.0 110.796 179.103 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1889 ' ' LEU . . . . . . . . . . . . . 1.1 tt -56.2 -49.86 72.89 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 176.753 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1890 ' ' THR . . . . . . . . . . . . . 82.2 m -57.44 -37.61 73.09 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.005 -0.998 . . . . 0.0 111.533 -179.451 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1891 ' ' SER . . . . . . . . . . . . . 52.5 m -67.29 -45.38 76.74 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.552 -177.613 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1892 ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -77.2 -25.3 51.63 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 112.198 0.444 . . . . 0.0 112.198 -175.504 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1893 ' ' TYR . . . . . . . . . . . . . 47.7 t80 -60.03 -39.53 86.17 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 120.366 -0.534 . . . . 0.0 110.424 174.781 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1894 ' ' GLY . . . . . . . . . . . . . . . -60.48 -35.99 90.22 Favored Glycine 0 C--O 1.229 -0.211 0 C-N-CA 120.961 -0.638 . . . . 0.0 111.957 178.461 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1895 ' ' ARG . . . . . . . . . . . . . 10.3 ttm180 -67.99 -45.89 72.85 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.277 0.561 . . . . 0.0 109.786 177.259 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1896 ' ' LEU . . . . . 0.538 HD11 HG11 ' A' 1964 ' ' VAL . 43.0 tp -59.66 -57.08 14.48 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.118 -0.946 . . . . 0.0 111.847 -178.445 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1897 ' ' ALA . . . . . . . . . . . . . . . -64.68 -24.43 67.57 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.951 -0.568 . . . . 0.0 112.398 -172.582 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1898 ' ' SER . . . . . . . . . . . . . 67.8 m -80.22 -31.17 38.62 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.898 0.38 . . . . 0.0 110.84 -173.696 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1899 ' ' GLN . . . . . 0.795 ' HA ' HE21 ' A' 1899 ' ' GLN . 0.0 OUTLIER -79.18 -6.26 56.15 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.852 -179.474 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A 1900 ' ' ALA . . . . . . . . . . . . . . . -72.15 -30.87 65.44 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.684 177.197 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1901 ' ' LYS . . . . . 0.412 ' HB3' ' HD3' ' A' 1902 ' ' PRO . 56.5 tptt -62.43 -58.23 18.32 Favored Pre-proline 0 CA--C 1.538 0.504 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.701 -178.636 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1902 ' ' PRO . . . . . 0.412 ' HD3' ' HB3' ' A' 1901 ' ' LYS . 48.7 Cg_endo -68.75 -23.01 36.27 Favored 'Trans proline' 0 C--N 1.355 0.907 0 C-N-CA 121.852 1.701 . . . . 0.0 112.453 -178.747 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1903 ' ' ALA . . . . . . . . . . . . . . . -76.29 -39.48 54.11 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.95 179.606 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1904 ' ' ALA . . . . . . . . . . . . . . . -72.84 -31.69 64.95 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.839 -175.385 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1905 ' ' VAL . . . . . . . . . . . . . 35.2 m -82.37 -21.18 9.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.984 179.522 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1906 ' ' ALA . . . . . . . . . . . . . . . -82.28 -39.7 22.57 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.878 0.37 . . . . 0.0 110.294 177.19 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1907 ' ' ALA . . . . . . . . . . . . . . . -64.84 117.54 7.69 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.943 179.097 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1908 ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -65.4 -40.24 93.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.673 -0.694 . . . . 0.0 111.401 179.791 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1909 ' ' ASN . . . . . 0.734 ' HB3' HG13 ' A' 1912 ' ' ILE . 49.1 t-20 -74.43 129.05 37.05 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.026 -178.071 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1910 ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -47.83 -50.45 26.13 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.335 -0.848 . . . . 0.0 111.791 178.481 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1911 ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -70.06 -31.72 69.47 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.777 -0.647 . . . . 0.0 112.542 -170.121 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1912 ' ' ILE . . . . . 0.734 HG13 ' HB3' ' A' 1909 ' ' ASN . 62.1 mt -55.35 -54.5 24.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 C-N-CA 120.735 -0.386 . . . . 0.0 110.791 -177.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1913 ' ' GLY . . . . . . . . . . . . . . . -73.46 -32.84 59.32 Favored Glycine 0 N--CA 1.447 -0.572 0 C-N-CA 120.646 -0.788 . . . . 0.0 112.034 -178.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1914 ' ' ALA . . . . . . . . . . . . . . . -66.09 -41.64 90.39 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.733 0.302 . . . . 0.0 110.347 -178.709 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1915 ' ' HIS . . . . . 0.638 ' O ' ' HG2' ' A' 1919 ' ' ARG . 60.0 m-70 -60.38 -50.44 73.58 Favored 'General case' 0 CA--C 1.515 -0.378 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.652 178.79 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1916 ' ' ILE . . . . . . . . . . . . . 85.7 mt -50.93 -53.2 14.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.643 178.214 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1917 ' ' LYS . . . . . 0.514 ' HA ' HG22 ' A' 1920 ' ' VAL . 18.8 mtpp -63.32 -36.43 83.66 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.463 -0.789 . . . . 0.0 111.928 -178.212 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1918 ' ' HIS . . . . . . . . . . . . . 40.4 m-70 -69.12 -30.83 69.19 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.998 0.428 . . . . 0.0 111.499 178.375 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1919 ' ' ARG . . . . . 0.638 ' HG2' ' O ' ' A' 1915 ' ' HIS . 0.3 OUTLIER -81.84 -37.64 26.7 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.589 -0.278 . . . . 0.0 111.095 -177.658 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A 1920 ' ' VAL . . . . . 0.514 HG22 ' HA ' ' A' 1917 ' ' LYS . 30.2 m -68.45 -27.27 35.96 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.172 0 N-CA-C 109.787 -0.449 . . . . 0.0 109.787 174.621 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1921 ' ' GLN . . . . . . . . . . . . . 30.4 mt-30 -58.39 -54.07 51.12 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-O 121.211 0.529 . . . . 0.0 110.233 170.369 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1922 ' ' GLU . . . . . 1.02 ' HB3' ' HD3' ' A' 1960 ' ' LYS . 51.9 mm-40 -56.51 -40.28 74.75 Favored 'General case' 0 N--CA 1.45 -0.45 0 CA-C-N 115.372 -0.831 . . . . 0.0 111.213 -179.628 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1923 ' ' LEU . . . . . . . . . . . . . 66.9 mt -73.0 -27.71 61.94 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.092 -0.503 . . . . 0.0 111.486 179.313 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1924 ' ' GLY . . . . . . . . . . . . . . . -62.24 -57.57 16.36 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.665 -0.779 . . . . 0.0 112.31 -179.864 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1925 ' ' HIS . . . . . 0.468 ' NE2' ' HA ' ' A' 1922 ' ' GLU . 2.6 p-80 -78.46 -18.44 54.87 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.801 0.334 . . . . 0.0 111.326 178.218 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1926 ' ' GLY . . . . . . . . . . . . . . . -76.06 -48.73 9.38 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.758 179.141 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1927 ' ' CYS . . . . . . . . . . . . . 63.4 m -69.06 -32.67 72.31 Favored 'General case' 0 C--N 1.329 -0.324 0 O-C-N 122.763 -0.257 . . . . 0.0 111.155 -177.365 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1928 ' ' SER . . . . . . . . . . . . . 13.4 p -63.99 -23.64 67.41 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.903 0.382 . . . . 0.0 110.787 179.801 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1929 ' ' ALA . . . . . . . . . . . . . . . -77.39 -43.85 31.3 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.131 0.491 . . . . 0.0 110.105 176.079 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1930 ' ' LEU . . . . . 0.437 ' HG ' ' HB3' ' A' 1953 ' ' CYS . 0.5 OUTLIER -62.73 -47.88 81.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.465 -178.373 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A 1931 ' ' VAL . . . . . 0.419 ' HB ' ' HB1' ' A' 1886 ' ' ALA . 31.5 m -62.91 -30.84 50.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.505 -0.316 . . . . 0.0 111.35 -176.533 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1932 ' ' THR . . . . . . . . . . . . . 75.5 m -71.59 -42.7 67.41 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.507 -0.315 . . . . 0.0 110.602 175.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1933 ' ' LYS . . . . . . . . . . . . . 33.9 mmtp -66.99 -36.55 82.42 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.653 -0.249 . . . . 0.0 110.771 179.084 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1934 ' ' ALA . . . . . . . . . . . . . . . -59.17 -51.15 71.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.554 175.732 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1935 ' ' GLY . . . . . . . . . . . . . . . -63.33 -37.08 94.29 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.832 -0.699 . . . . 0.0 112.166 178.005 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1936 ' ' ALA . . . . . . . . . . . . . . . -65.84 -47.3 75.43 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.507 0.194 . . . . 0.0 111.157 179.846 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1937 ' ' LEU . . . . . 0.499 ' HB2' HG22 ' A' 1946 ' ' THR . 29.8 tp -67.48 -32.15 72.78 Favored 'General case' 0 CA--C 1.514 -0.422 0 CA-C-O 121.278 0.561 . . . . 0.0 110.095 178.406 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1938 ' ' GLN . . . . . 0.471 ' HG3' ' O ' ' A' 1879 ' ' PRO . 28.6 tt0 -66.69 -31.09 71.53 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.746 179.813 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1939 ' ' CYS . . . . . . . . . . . . . 60.4 m -86.43 -22.13 26.7 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.813 177.147 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1940 ' ' SER . . . . . . . . . . . . . 67.3 m -138.98 79.7 26.23 Favored Pre-proline 0 C--N 1.326 -0.418 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.746 178.876 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1941 ' ' PRO . . . . . . . . . . . . . 43.4 Cg_endo -69.62 -14.52 36.66 Favored 'Trans proline' 0 C--N 1.343 0.268 0 C-N-CA 122.578 2.185 . . . . 0.0 112.302 -177.723 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1942 ' ' SER . . . . . . . . . . . . . 14.8 m -86.26 -10.2 55.03 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.056 -178.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1943 ' ' ASP . . . . . . . . . . . . . 12.9 t70 -84.63 110.31 18.64 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 179.162 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1944 ' ' VAL . . . . . 0.552 ' O ' ' HG2' ' A' 1948 ' ' LYS . 12.0 p -75.64 -32.71 25.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.244 -174.075 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1945 ' ' TYR . . . . . . . . . . . . . 69.4 m-85 -71.99 -36.4 69.76 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.666 0.269 . . . . 0.0 111.147 -174.86 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1946 ' ' THR . . . . . 0.499 HG22 ' HB2' ' A' 1937 ' ' LEU . 95.7 m -60.62 -39.29 87.68 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.136 0.493 . . . . 0.0 109.793 172.789 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1947 ' ' LYS . . . . . . . . . . . . . 31.7 ttpt -68.34 -42.55 79.12 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.381 -0.827 . . . . 0.0 110.525 179.272 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1948 ' ' LYS . . . . . 0.552 ' HG2' ' O ' ' A' 1944 ' ' VAL . 9.0 mmpt? -53.93 -54.28 41.05 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.732 -179.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1949 ' ' GLU . . . . . . . . . . . . . 35.9 mm-40 -65.27 -25.57 67.71 Favored 'General case' 0 C--O 1.221 -0.4 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.796 -179.007 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1950 ' ' LEU . . . . . 0.64 HD11 HD22 ' A' 1882 ' ' LEU . 7.1 tt -65.48 -50.81 63.92 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 177.022 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1951 ' ' ILE . . . . . 0.844 HG13 ' HB ' ' A' 1872 ' ' VAL . 1.8 mp -61.95 -48.86 86.6 Favored 'Isoleucine or valine' 0 C--O 1.236 0.345 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.088 177.095 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1952 ' ' GLU . . . . . 0.581 ' O ' ' HG3' ' A' 1956 ' ' ARG . 30.4 mm-40 -59.39 -45.98 89.94 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.48 -179.577 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1953 ' ' CYS . . . . . 0.438 ' HA ' ' HD2' ' A' 1956 ' ' ARG . 25.4 t -61.25 -39.61 91.0 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.479 0.181 . . . . 0.0 111.061 -177.343 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1954 ' ' ALA . . . . . 0.406 ' HB1' ' HB ' ' A' 1868 ' ' VAL . . . -64.87 -41.98 95.22 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.803 0.335 . . . . 0.0 111.193 -179.302 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1955 ' ' ARG . . . . . 0.53 ' HG3' ' O ' ' A' 1952 ' ' GLU . 0.0 OUTLIER -73.69 -23.38 59.8 Favored 'General case' 0 C--N 1.325 -0.471 0 C-N-CA 120.757 -0.377 . . . . 0.0 110.382 178.278 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A 1956 ' ' ARG . . . . . 0.581 ' HG3' ' O ' ' A' 1952 ' ' GLU . 84.0 mtt180 -70.3 -46.9 63.36 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.903 0.383 . . . . 0.0 110.382 174.49 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1957 ' ' VAL . . . . . 0.451 ' O ' HG13 ' A' 1961 ' ' VAL . 21.1 m -78.19 -25.98 14.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 N-CA-C 111.865 0.32 . . . . 0.0 111.865 -176.666 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1958 ' ' SER . . . . . 0.525 ' O ' HG22 ' A' 1961 ' ' VAL . 8.3 p -66.41 -28.41 68.6 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 120.996 -0.282 . . . . 0.0 110.82 179.708 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1959 ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -65.93 -38.55 88.95 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 171.16 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1960 ' ' LYS . . . . . 1.02 ' HD3' ' HB3' ' A' 1922 ' ' GLU . 66.4 mttm -70.36 -37.1 74.55 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.17 -176.168 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1961 ' ' VAL . . . . . 0.704 HG21 ' HB2' ' A' 1865 ' ' ALA . 2.7 m -66.1 -31.59 54.35 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.192 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 175.356 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1962 ' ' SER . . . . . 0.638 ' HA ' HD12 ' A' 1965 ' ' LEU . 49.3 m -71.32 -24.85 62.2 Favored 'General case' 0 N--CA 1.451 -0.408 0 CA-C-N 115.458 -0.792 . . . . 0.0 110.138 177.85 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1963 ' ' HIS . . . . . . . . . . . . . 33.2 m170 -77.69 -31.41 52.42 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.845 -0.616 . . . . 0.0 109.988 177.797 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1964 ' ' VAL . . . . . 0.538 HG11 HD11 ' A' 1896 ' ' LEU . 72.6 t -59.26 -50.1 81.05 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.205 0 N-CA-C 108.791 -0.818 . . . . 0.0 108.791 171.753 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1965 ' ' LEU . . . . . 0.638 HD12 ' HA ' ' A' 1962 ' ' SER . 37.2 mt -49.69 -47.38 50.34 Favored 'General case' 0 CA--C 1.532 0.261 0 CA-C-N 115.48 -0.782 . . . . 0.0 111.092 179.261 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1966 ' ' ALA . . . . . . . . . . . . . . . -64.75 -34.48 78.42 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.71 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1967 ' ' ALA . . . . . . . . . . . . . . . -64.68 -43.47 93.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.508 -0.314 . . . . 0.0 111.352 -178.805 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1968 ' ' LEU . . . . . 1.014 ' HB3' ' HG3' ' A' 1854 ' ' GLN . 2.7 mm? -65.54 -39.12 91.38 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-O 121.169 0.509 . . . . 0.0 110.568 178.677 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1969 ' ' GLN . . . . . . . . . . . . . 72.1 mt-30 . . . . . 0 C--N 1.324 -0.501 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.033 -176.914 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A 1850 ' ' PHE . . . . . 0.415 ' HE1' HD11 ' A' 1916 ' ' ILE . 86.3 t80 . . . . . 0 CA--C 1.529 0.141 0 N-CA-C 111.576 0.213 . . . . 0.0 111.576 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1851 ' ' VAL . . . . . . . . . . . . . 35.2 m -54.9 -36.54 38.12 Favored 'Isoleucine or valine' 0 C--O 1.235 0.304 0 N-CA-C 112.227 0.454 . . . . 0.0 112.227 -178.346 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1852 ' ' ASP . . . . . . . . . . . . . 36.1 t70 -79.54 -47.94 14.69 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.839 0.352 . . . . 0.0 110.547 -177.214 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1853 ' ' TYR . . . . . 0.586 ' O ' ' HG2' ' A' 1857 ' ' MET . 56.1 m-85 -61.68 -39.89 93.04 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.353 -179.599 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1854 ' ' GLN . . . . . 0.81 ' HG3' ' HB3' ' A' 1968 ' ' LEU . 26.9 tt0 -53.39 -51.6 62.02 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.558 174.419 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1855 ' ' THR . . . . . 0.647 ' O ' ' HG2' ' A' 1859 ' ' ARG . 40.4 m -68.31 -36.87 79.96 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.732 -0.667 . . . . 0.0 112.042 -174.642 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1856 ' ' THR . . . . . 0.476 HG22 ' HA ' ' A' 1853 ' ' TYR . 13.8 t -72.42 -45.45 59.59 Favored 'General case' 0 CA--C 1.538 0.495 0 N-CA-C 112.248 0.462 . . . . 0.0 112.248 -173.35 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1857 ' ' MET . . . . . 0.586 ' HG2' ' O ' ' A' 1853 ' ' TYR . 11.5 ptm -79.01 -21.47 46.92 Favored 'General case' 0 C--N 1.33 -0.254 0 O-C-N 122.068 -0.395 . . . . 0.0 112.031 -172.485 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1858 ' ' VAL . . . . . 0.482 HG13 ' O ' ' A' 1854 ' ' GLN . 26.4 m -69.51 -29.28 41.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 C-N-CA 119.864 -0.734 . . . . 0.0 109.61 174.105 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1859 ' ' ARG . . . . . 0.647 ' HG2' ' O ' ' A' 1855 ' ' THR . 15.9 mmt180 -71.32 -41.49 69.79 Favored 'General case' 0 C--O 1.233 0.188 0 N-CA-C 109.491 -0.559 . . . . 0.0 109.491 176.475 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1860 ' ' THR . . . . . . . . . . . . . 3.6 m -61.41 -42.73 99.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.458 -0.792 . . . . 0.0 110.798 179.787 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1861 ' ' ALA . . . . . 0.462 ' HB1' ' HB ' ' A' 1961 ' ' VAL . . . -57.78 -39.24 77.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.13 179.773 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1862 ' ' LYS . . . . . . . . . . . . . 51.1 mttm -66.83 -37.38 84.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.675 179.583 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1863 ' ' ALA . . . . . . . . . . . . . . . -72.44 -34.81 68.06 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.536 179.784 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1864 ' ' ILE . . . . . 0.597 ' O ' HG13 ' A' 1868 ' ' VAL . 68.6 mt -65.33 -46.31 90.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.105 174.355 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1865 ' ' ALA . . . . . 0.834 ' HB2' HG21 ' A' 1961 ' ' VAL . . . -57.7 -51.35 69.89 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.681 -179.017 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1866 ' ' VAL . . . . . 0.484 ' O ' ' HG3' ' A' 1870 ' ' GLU . 11.7 p -61.4 -31.24 49.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 C-N-CA 120.866 -0.334 . . . . 0.0 110.739 -179.751 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1867 ' ' THR . . . . . 0.67 ' O ' ' HG3' ' A' 1871 ' ' MET . 96.2 m -66.25 -52.33 48.71 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.625 -0.261 . . . . 0.0 110.875 177.62 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1868 ' ' VAL . . . . . 0.597 HG13 ' O ' ' A' 1864 ' ' ILE . 2.5 m -63.36 -30.67 50.36 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.331 0 CA-C-O 121.75 0.786 . . . . 0.0 110.069 -178.786 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1869 ' ' GLN . . . . . . . . . . . . . 5.6 tp-100 -75.56 -28.33 58.96 Favored 'General case' 0 N--CA 1.429 -1.489 0 CA-C-N 114.788 -1.096 . . . . 0.0 110.231 -179.87 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1870 ' ' GLU . . . . . 0.484 ' HG3' ' O ' ' A' 1866 ' ' VAL . 48.3 mt-10 -72.29 -41.71 66.33 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 109.954 -0.387 . . . . 0.0 109.954 170.929 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1871 ' ' MET . . . . . 0.67 ' HG3' ' O ' ' A' 1867 ' ' THR . 46.1 mtp -57.7 -42.99 84.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.261 -176.769 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1872 ' ' VAL . . . . . 0.434 HG12 ' HA ' ' A' 1951 ' ' ILE . 27.0 m -73.13 -29.31 28.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.792 0.329 . . . . 0.0 111.624 178.911 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1873 ' ' THR . . . . . . . . . . . . . 95.7 m -76.71 -41.29 45.75 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.056 0.455 . . . . 0.0 110.914 179.866 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1874 ' ' LYS . . . . . 0.66 ' HD2' ' HG3' ' A' 1881 ' ' GLU . 70.4 mmtt -70.57 -43.41 69.5 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.108 -178.852 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1875 ' ' SER . . . . . 0.472 ' HB2' ' HG3' ' A' 1947 ' ' LYS . 12.4 p -57.12 -20.63 26.87 Favored 'General case' 0 N--CA 1.465 0.301 0 N-CA-C 113.107 0.781 . . . . 0.0 113.107 -171.878 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1876 ' ' ASN . . . . . . . . . . . . . 92.1 m-20 -61.0 -36.33 79.22 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.783 0.325 . . . . 0.0 111.274 179.148 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1877 ' ' THR . . . . . . . . . . . . . 37.0 p -129.05 -38.54 1.62 Allowed 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.063 0.459 . . . . 0.0 111.644 -177.611 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1878 ' ' SER . . . . . . . . . . . . . 50.2 m -112.8 104.68 55.97 Favored Pre-proline 0 C--N 1.322 -0.611 0 CA-C-N 115.837 -0.619 . . . . 0.0 111.764 -171.742 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1879 ' ' PRO . . . . . 1.025 ' HA ' HD12 ' A' 1882 ' ' LEU . 53.1 Cg_endo -90.03 -8.06 4.25 Favored 'Trans proline' 0 N--CA 1.442 -1.514 0 C-N-CA 121.971 1.781 . . . . 0.0 111.841 171.929 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1880 ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 -73.24 -32.37 64.68 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.6 177.353 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1881 ' ' GLU . . . . . 0.66 ' HG3' ' HD2' ' A' 1874 ' ' LYS . 9.6 mm-40 -70.46 -14.6 62.6 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.542 -178.7 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1882 ' ' LEU . . . . . 1.025 HD12 ' HA ' ' A' 1879 ' ' PRO . 1.7 mt -84.69 -4.33 58.97 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.468 -0.787 . . . . 0.0 112.722 -169.571 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1883 ' ' GLY . . . . . . . . . . . . . . . -76.06 -60.77 3.02 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.438 -0.886 . . . . 0.0 111.269 174.196 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1884 ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -55.5 -42.3 69.29 Favored 'Trans proline' 0 C--N 1.349 0.576 0 C-N-CA 122.751 2.3 . . . . 0.0 112.18 175.427 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1885 ' ' LEU . . . . . 0.523 ' HB3' ' HG2' ' A' 1871 ' ' MET . 43.1 mt -60.4 -40.22 90.18 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.813 -178.447 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1886 ' ' ALA . . . . . . . . . . . . . . . -65.74 -45.22 83.42 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.981 0.42 . . . . 0.0 110.67 179.767 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1887 ' ' ASN . . . . . . . . . . . . . 92.9 m-20 -65.56 -35.19 80.13 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.077 0.465 . . . . 0.0 110.304 177.205 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1888 ' ' GLN . . . . . . . . . . . . . 33.5 tp60 -64.85 -49.58 70.02 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.58 -0.737 . . . . 0.0 110.792 179.57 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1889 ' ' LEU . . . . . 0.475 HD12 ' SD ' ' A' 1871 ' ' MET . 0.8 OUTLIER -57.94 -45.25 86.88 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 109.546 -0.538 . . . . 0.0 109.546 177.441 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A 1890 ' ' THR . . . . . . . . . . . . . 87.7 m -59.67 -44.58 93.55 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.612 -0.722 . . . . 0.0 111.386 179.423 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1891 ' ' SER . . . . . . . . . . . . . 21.0 t -68.44 -45.87 71.36 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.844 -178.551 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1892 ' ' ASP . . . . . 0.512 ' HB3' HG12 ' A' 1864 ' ' ILE . 0.1 OUTLIER -65.95 -40.14 91.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.525 -0.307 . . . . 0.0 110.93 -177.79 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A 1893 ' ' TYR . . . . . . . . . . . . . 27.4 t80 -60.09 -43.9 95.18 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.626 0.251 . . . . 0.0 110.699 176.031 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1894 ' ' GLY . . . . . . . . . . . . . . . -58.01 -36.54 81.62 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.849 -0.691 . . . . 0.0 111.763 179.104 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1895 ' ' ARG . . . . . . . . . . . . . 41.6 ttm105 -69.18 -46.91 66.34 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.001 0.429 . . . . 0.0 110.141 176.897 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1896 ' ' LEU . . . . . 0.51 HD12 ' HB2' ' A' 1857 ' ' MET . 57.8 tp -57.76 -47.33 82.82 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.986 179.307 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1897 ' ' ALA . . . . . . . . . . . . . . . -64.69 -24.06 67.45 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.328 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1898 ' ' SER . . . . . . . . . . . . . 35.0 t -79.46 -21.16 45.81 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.585 0.707 . . . . 0.0 109.547 -177.29 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1899 ' ' GLN . . . . . 0.423 HE21 ' HB2' ' A' 1899 ' ' GLN . 10.6 mt-30 -95.36 -16.78 22.11 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.106 -0.952 . . . . 0.0 110.483 -177.887 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1900 ' ' ALA . . . . . . . . . . . . . . . -74.5 -31.21 62.1 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.767 -0.652 . . . . 0.0 110.643 176.665 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1901 ' ' LYS . . . . . 0.673 ' HB3' ' HD3' ' A' 1902 ' ' PRO . 24.1 tptm -59.24 -57.71 24.97 Favored Pre-proline 0 CA--C 1.54 0.571 0 CA-C-N 115.355 -0.838 . . . . 0.0 112.107 -177.581 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1902 ' ' PRO . . . . . 0.673 ' HD3' ' HB3' ' A' 1901 ' ' LYS . 4.9 Cg_exo -77.7 -20.21 12.2 Favored 'Trans proline' 0 C--N 1.353 0.806 0 C-N-CA 121.891 1.727 . . . . 0.0 112.362 -176.508 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1903 ' ' ALA . . . . . . . . . . . . . . . -72.08 -36.59 69.56 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.871 0.367 . . . . 0.0 110.623 179.803 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1904 ' ' ALA . . . . . . . . . . . . . . . -72.77 -32.69 65.81 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.739 -176.47 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1905 ' ' VAL . . . . . 0.436 HG22 ' HA ' ' A' 1902 ' ' PRO . 34.7 m -85.23 -26.92 6.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 115.923 -0.58 . . . . 0.0 111.244 -179.163 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1906 ' ' ALA . . . . . . . . . . . . . . . -74.3 -45.96 44.23 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.558 0.218 . . . . 0.0 110.79 179.094 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1907 ' ' ALA . . . . . . . . . . . . . . . -57.36 137.8 55.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.304 -179.294 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1908 ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -93.61 -12.4 29.55 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.158 0.504 . . . . 0.0 110.486 -179.353 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1909 ' ' ASN . . . . . . . . . . . . . 42.6 m-80 -86.02 130.98 34.37 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.352 177.837 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1910 ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -56.23 -50.87 70.04 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.845 178.719 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1911 ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -63.82 -39.8 95.08 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.48 -0.782 . . . . 0.0 111.966 -173.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1912 ' ' ILE . . . . . 0.543 ' O ' HG13 ' A' 1916 ' ' ILE . 53.8 mt -59.24 -53.68 44.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 C-N-CA 120.66 -0.416 . . . . 0.0 110.275 -179.861 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1913 ' ' GLY . . . . . . . . . . . . . . . -59.72 -32.36 73.97 Favored Glycine 0 C--N 1.33 0.239 0 C-N-CA 120.973 -0.632 . . . . 0.0 112.425 -179.885 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1914 ' ' ALA . . . . . . . . . . . . . . . -74.81 -46.26 37.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.656 0.265 . . . . 0.0 110.738 179.613 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1915 ' ' HIS . . . . . 0.659 ' O ' ' HG2' ' A' 1919 ' ' ARG . 67.8 m-70 -63.03 -45.16 93.59 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.332 -177.586 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1916 ' ' ILE . . . . . 0.543 HG13 ' O ' ' A' 1912 ' ' ILE . 98.9 mt -50.96 -56.37 4.82 Favored 'Isoleucine or valine' 0 C--O 1.234 0.245 0 CA-C-O 121.133 0.492 . . . . 0.0 111.375 -178.772 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1917 ' ' LYS . . . . . 0.474 ' HA ' HG22 ' A' 1920 ' ' VAL . 56.8 mtmt -73.8 -24.82 59.87 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.316 -177.336 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1918 ' ' HIS . . . . . 0.484 ' O ' ' HB3' ' A' 1921 ' ' GLN . 8.3 t-80 -69.37 -31.65 70.18 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.951 0.405 . . . . 0.0 110.227 178.895 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1919 ' ' ARG . . . . . 0.659 ' HG2' ' O ' ' A' 1915 ' ' HIS . 24.6 mmt180 -75.68 -49.16 19.16 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.675 -178.225 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1920 ' ' VAL . . . . . 0.474 HG22 ' HA ' ' A' 1917 ' ' LYS . 32.7 m -66.63 -24.21 32.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 121.094 0.474 . . . . 0.0 110.208 178.269 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1921 ' ' GLN . . . . . 0.484 ' HB3' ' O ' ' A' 1918 ' ' HIS . 40.1 tt0 -54.24 -53.73 49.63 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.894 175.638 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1922 ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -75.41 -32.62 60.81 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.196 -177.367 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1923 ' ' LEU . . . . . 0.401 ' HG ' ' HB3' ' A' 1960 ' ' LYS . 30.9 mt -61.84 -30.51 70.89 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.261 178.051 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1924 ' ' GLY . . . . . . . . . . . . . . . -62.25 -41.6 99.72 Favored Glycine 0 N--CA 1.449 -0.456 0 C-N-CA 120.789 -0.72 . . . . 0.0 111.975 177.382 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1925 ' ' HIS . . . . . . . . . . . . . 23.5 m170 -70.46 -44.44 67.77 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.737 -0.468 . . . . 0.0 109.737 178.771 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1926 ' ' GLY . . . . . 0.442 ' O ' ' HB2' ' A' 1930 ' ' LEU . . . -62.67 -38.86 97.13 Favored Glycine 0 N--CA 1.447 -0.603 0 CA-C-N 115.748 -0.66 . . . . 0.0 112.195 179.621 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1927 ' ' CYS . . . . . . . . . . . . . 53.6 t -63.64 -52.61 60.06 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.541 0.21 . . . . 0.0 110.447 177.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1928 ' ' SER . . . . . . . . . . . . . 62.5 p -63.08 -34.39 77.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.043 -176.875 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1929 ' ' ALA . . . . . . . . . . . . . . . -72.8 -48.75 35.37 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.466 -0.333 . . . . 0.0 111.043 178.788 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1930 ' ' LEU . . . . . 0.448 ' HG ' ' HB3' ' A' 1953 ' ' CYS . 0.4 OUTLIER -61.47 -46.11 91.41 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.122 -175.28 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A 1931 ' ' VAL . . . . . . . . . . . . . 23.4 m -64.55 -28.91 45.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.851 0.358 . . . . 0.0 111.063 -177.594 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1932 ' ' THR . . . . . . . . . . . . . 30.9 m -76.05 -41.0 52.09 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.281 177.194 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1933 ' ' LYS . . . . . . . . . . . . . 75.1 mmtt -64.62 -37.34 87.24 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.026 0.441 . . . . 0.0 110.152 176.629 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1934 ' ' ALA . . . . . . . . . . . . . . . -61.63 -50.54 72.16 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.506 176.473 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1935 ' ' GLY . . . . . . . . . . . . . . . -65.24 -33.45 86.85 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.881 -0.676 . . . . 0.0 112.319 178.584 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1936 ' ' ALA . . . . . . . . . . . . . . . -65.44 -48.25 73.37 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.758 0.313 . . . . 0.0 110.664 177.719 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1937 ' ' LEU . . . . . 0.42 ' HB2' HG22 ' A' 1946 ' ' THR . 24.4 tp -66.99 -31.98 72.92 Favored 'General case' 0 CA--C 1.513 -0.464 0 CA-C-O 121.148 0.499 . . . . 0.0 110.407 178.77 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1938 ' ' GLN . . . . . 0.53 ' HA ' ' HB2' ' A' 1879 ' ' PRO . 37.6 tt0 -68.37 -26.91 65.81 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.142 178.928 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1939 ' ' CYS . . . . . . . . . . . . . 42.2 t -82.97 -35.61 25.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.364 176.105 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1940 ' ' SER . . . . . . . . . . . . . 74.9 m -128.27 83.28 66.58 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.916 177.313 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1941 ' ' PRO . . . . . 0.659 ' HB3' ' HG3' ' A' 1879 ' ' PRO . 51.7 Cg_endo -70.56 -21.35 29.91 Favored 'Trans proline' 0 C--N 1.343 0.288 0 C-N-CA 122.522 2.148 . . . . 0.0 112.691 -175.918 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1942 ' ' SER . . . . . . . . . . . . . 32.2 m -85.04 -1.82 57.27 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.335 -177.021 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1943 ' ' ASP . . . . . . . . . . . . . 23.5 t70 -94.93 111.59 23.37 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.895 0.379 . . . . 0.0 110.263 179.428 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1944 ' ' VAL . . . . . . . . . . . . . 9.8 p -75.68 -28.61 19.71 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.716 -176.671 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1945 ' ' TYR . . . . . 0.454 ' O ' ' HG3' ' A' 1949 ' ' GLU . 66.5 m-85 -64.88 -43.2 93.69 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.735 -177.24 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1946 ' ' THR . . . . . 0.42 HG22 ' HB2' ' A' 1937 ' ' LEU . 85.5 m -59.06 -41.01 86.92 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.405 174.838 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1947 ' ' LYS . . . . . 0.472 ' HG3' ' HB2' ' A' 1875 ' ' SER . 11.7 ttpp -67.41 -37.93 83.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.163 179.477 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1948 ' ' LYS . . . . . 0.489 ' HE2' ' HA ' ' A' 1948 ' ' LYS . 7.6 mmpt? -58.2 -49.81 75.75 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.434 178.816 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1949 ' ' GLU . . . . . 0.454 ' HG3' ' O ' ' A' 1945 ' ' TYR . 37.5 mt-10 -65.5 -28.13 68.97 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.039 -178.022 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1950 ' ' LEU . . . . . 0.456 HD11 HD22 ' A' 1882 ' ' LEU . 7.7 tt -63.45 -47.48 81.65 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.007 -0.738 . . . . 0.0 109.007 174.723 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1951 ' ' ILE . . . . . 0.462 ' O ' ' HG2' ' A' 1955 ' ' ARG . 1.7 mp -63.41 -44.71 99.04 Favored 'Isoleucine or valine' 0 C--O 1.235 0.314 0 CA-C-N 115.615 -0.721 . . . . 0.0 110.289 176.384 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1952 ' ' GLU . . . . . 0.435 ' O ' ' HG3' ' A' 1956 ' ' ARG . 35.7 mm-40 -55.61 -39.81 71.26 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.264 178.49 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1953 ' ' CYS . . . . . 0.448 ' HB3' ' HG ' ' A' 1930 ' ' LEU . 11.7 t -74.53 -42.63 58.53 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 116.513 -0.312 . . . . 0.0 110.775 -177.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1954 ' ' ALA . . . . . . . . . . . . . . . -64.58 -41.49 96.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.516 -0.311 . . . . 0.0 111.677 -176.821 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1955 ' ' ARG . . . . . 0.462 ' HG2' ' O ' ' A' 1951 ' ' ILE . 9.9 ptp180 -66.96 -24.6 66.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.876 0.369 . . . . 0.0 110.629 179.113 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1956 ' ' ARG . . . . . 0.554 ' O ' ' HD3' ' A' 1960 ' ' LYS . 43.8 mtp180 -81.28 -30.03 34.14 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.667 179.708 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1957 ' ' VAL . . . . . 0.455 ' O ' HG13 ' A' 1961 ' ' VAL . 12.1 m -89.07 -30.95 5.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 C-N-CA 120.644 -0.422 . . . . 0.0 111.934 -178.187 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1958 ' ' SER . . . . . 0.612 ' O ' HG22 ' A' 1961 ' ' VAL . 23.4 p -63.78 -24.03 67.6 Favored 'General case' 0 CA--C 1.531 0.213 0 CA-C-O 120.931 0.396 . . . . 0.0 111.47 -175.781 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1959 ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -77.87 -33.79 51.95 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.784 0.326 . . . . 0.0 110.802 174.422 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1960 ' ' LYS . . . . . 0.554 ' HD3' ' O ' ' A' 1956 ' ' ARG . 12.1 mptt -66.54 -31.39 72.07 Favored 'General case' 0 CA--C 1.516 -0.328 0 CA-C-N 116.554 -0.294 . . . . 0.0 110.691 -178.879 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1961 ' ' VAL . . . . . 0.834 HG21 ' HB2' ' A' 1865 ' ' ALA . 2.2 m -64.97 -37.26 79.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 116.209 -0.451 . . . . 0.0 109.833 -179.89 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1962 ' ' SER . . . . . 0.683 ' HA ' HD12 ' A' 1965 ' ' LEU . 14.3 m -73.0 -24.98 60.82 Favored 'General case' 0 N--CA 1.441 -0.907 0 CA-C-O 121.305 0.574 . . . . 0.0 110.154 176.521 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1963 ' ' HIS . . . . . 0.453 ' HB3' ' CD ' ' A' 1919 ' ' ARG . 64.5 m170 -72.21 -30.37 64.86 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.655 -0.702 . . . . 0.0 109.785 176.618 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1964 ' ' VAL . . . . . 0.433 ' O ' HD23 ' A' 1968 ' ' LEU . 90.7 t -65.38 -44.93 94.45 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.203 0 N-CA-C 108.921 -0.77 . . . . 0.0 108.921 172.558 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1965 ' ' LEU . . . . . 0.683 HD12 ' HA ' ' A' 1962 ' ' SER . 54.1 mt -53.87 -46.51 71.35 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.007 -0.997 . . . . 0.0 110.735 178.671 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1966 ' ' ALA . . . . . . . . . . . . . . . -75.98 -31.23 58.88 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.88 -178.286 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1967 ' ' ALA . . . . . . . . . . . . . . . -63.99 -46.43 84.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.009 0.433 . . . . 0.0 111.184 -179.75 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1968 ' ' LEU . . . . . 0.81 ' HB3' ' HG3' ' A' 1854 ' ' GLN . 4.1 mm? -71.75 -29.75 64.85 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.972 -179.454 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1969 ' ' GLN . . . . . . . . . . . . . 47.4 mt-30 . . . . . 0 C--N 1.324 -0.525 0 CA-C-N 116.517 -0.31 . . . . 0.0 110.961 -179.085 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A 1850 ' ' PHE . . . . . 0.551 ' HZ ' HD11 ' A' 1916 ' ' ILE . 86.2 t80 . . . . . 0 N--CA 1.45 -0.459 0 CA-C-O 120.979 0.418 . . . . 0.0 110.109 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1851 ' ' VAL . . . . . . . . . . . . . 28.1 m -48.88 -37.0 8.56 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.291 0 CA-C-N 115.426 -0.806 . . . . 0.0 112.421 179.796 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1852 ' ' ASP . . . . . . . . . . . . . 20.6 t70 -66.72 -43.87 83.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.138 0.495 . . . . 0.0 111.244 -176.791 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1853 ' ' TYR . . . . . 0.45 ' CE1' ' HB2' ' A' 1902 ' ' PRO . 51.4 m-85 -81.29 -23.67 37.76 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.33 -177.295 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1854 ' ' GLN . . . . . 0.914 ' HG3' ' HB3' ' A' 1968 ' ' LEU . 6.8 tt0 -68.5 -55.91 10.14 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.503 -0.772 . . . . 0.0 110.604 176.488 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1855 ' ' THR . . . . . 0.589 ' O ' ' HG2' ' A' 1859 ' ' ARG . 14.7 m -59.26 -40.68 86.76 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.993 -0.549 . . . . 0.0 112.31 -174.412 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1856 ' ' THR . . . . . 0.457 HG23 ' N ' ' A' 1857 ' ' MET . 6.2 t -62.33 -53.42 55.27 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 112.559 0.578 . . . . 0.0 112.559 -173.467 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1857 ' ' MET . . . . . 0.69 ' SD ' HD21 ' A' 1968 ' ' LEU . 7.2 ptp -77.85 -24.19 48.67 Favored 'General case' 0 C--N 1.327 -0.4 0 C-N-CA 120.415 -0.514 . . . . 0.0 111.972 -172.58 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1858 ' ' VAL . . . . . 0.413 ' O ' ' HG3' ' A' 1862 ' ' LYS . 23.3 m -69.87 -32.07 50.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 C-N-CA 119.546 -0.862 . . . . 0.0 109.251 174.736 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1859 ' ' ARG . . . . . 0.589 ' HG2' ' O ' ' A' 1855 ' ' THR . 30.5 mmt180 -70.23 -37.65 75.04 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-O 121.124 0.488 . . . . 0.0 109.691 174.322 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1860 ' ' THR . . . . . 0.495 ' HA ' HH21 ' A' 1895 ' ' ARG . 99.0 m -65.64 -44.26 86.96 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.504 -0.771 . . . . 0.0 111.069 176.781 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1861 ' ' ALA . . . . . 0.4 ' HB1' ' HB ' ' A' 1961 ' ' VAL . . . -59.5 -40.01 85.66 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.842 0.353 . . . . 0.0 110.929 179.297 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1862 ' ' LYS . . . . . 0.413 ' HG3' ' O ' ' A' 1858 ' ' VAL . 52.1 mttm -64.03 -41.03 97.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.428 177.133 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1863 ' ' ALA . . . . . . . . . . . . . . . -67.16 -36.46 81.86 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.773 178.88 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1864 ' ' ILE . . . . . 0.635 ' O ' HG13 ' A' 1868 ' ' VAL . 76.1 mt -65.17 -47.52 87.24 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-N 116.368 -0.378 . . . . 0.0 109.994 174.777 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1865 ' ' ALA . . . . . 0.833 ' HB2' HG21 ' A' 1961 ' ' VAL . . . -56.72 -42.13 78.65 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.019 -0.537 . . . . 0.0 112.119 -177.709 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1866 ' ' VAL . . . . . . . . . . . . . 12.6 p -71.96 -32.44 44.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 C-N-CA 120.565 -0.454 . . . . 0.0 110.587 179.717 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1867 ' ' THR . . . . . 0.401 ' O ' ' HG3' ' A' 1871 ' ' MET . 92.1 m -68.96 -46.69 67.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.558 -0.292 . . . . 0.0 111.133 179.585 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1868 ' ' VAL . . . . . 0.635 HG13 ' O ' ' A' 1864 ' ' ILE . 3.2 m -62.62 -30.26 48.85 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.311 0 CA-C-O 121.767 0.794 . . . . 0.0 109.646 178.733 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1869 ' ' GLN . . . . . . . . . . . . . 8.9 tp-100 -78.32 -35.66 47.41 Favored 'General case' 0 N--CA 1.421 -1.912 0 CA-C-N 114.856 -1.066 . . . . 0.0 110.356 -177.884 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1870 ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -65.03 -36.04 83.12 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.97 -0.382 . . . . 0.0 109.97 173.165 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1871 ' ' MET . . . . . 0.404 ' SD ' HD12 ' A' 1889 ' ' LEU . 8.1 mtt -56.65 -51.25 69.44 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.03 177.697 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1872 ' ' VAL . . . . . 0.618 HG12 ' HA ' ' A' 1951 ' ' ILE . 33.2 m -72.36 -28.48 28.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 120.893 0.378 . . . . 0.0 111.532 -178.755 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1873 ' ' THR . . . . . . . . . . . . . 92.6 m -72.59 -47.13 50.49 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 120.995 0.426 . . . . 0.0 110.855 177.863 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1874 ' ' LYS . . . . . . . . . . . . . 71.5 mmtt -71.09 -37.27 72.42 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.75 -176.676 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1875 ' ' SER . . . . . 0.628 ' HB3' HD11 ' A' 1882 ' ' LEU . 12.0 p -57.32 -14.56 4.68 Favored 'General case' 0 N--CA 1.468 0.428 0 N-CA-C 112.594 0.59 . . . . 0.0 112.594 -175.123 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1876 ' ' ASN . . . . . . . . . . . . . 12.6 m120 -61.76 -43.36 99.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.51 -0.313 . . . . 0.0 111.048 176.704 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1877 ' ' THR . . . . . . . . . . . . . 74.1 p -131.35 -5.13 3.8 Favored 'General case' 0 CA--C 1.532 0.28 0 N-CA-C 112.045 0.387 . . . . 0.0 112.045 -177.601 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1878 ' ' SER . . . . . . . . . . . . . 68.7 m -138.26 109.2 8.17 Favored Pre-proline 0 C--N 1.325 -0.488 0 N-CA-C 111.99 0.367 . . . . 0.0 111.99 -173.808 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1879 ' ' PRO . . . . . 0.98 ' HA ' HD12 ' A' 1882 ' ' LEU . 25.9 Cg_endo -95.86 -3.65 1.94 Allowed 'Trans proline' 0 N--CA 1.442 -1.555 0 C-N-CA 121.827 1.685 . . . . 0.0 111.399 168.038 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1880 ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -71.59 -50.85 27.06 Favored 'General case' 0 C--N 1.334 -0.07 0 CA-C-N 115.52 -0.764 . . . . 0.0 110.341 179.115 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1881 ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 -63.1 -14.63 50.69 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 115.315 -0.857 . . . . 0.0 111.051 -176.662 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1882 ' ' LEU . . . . . 0.98 HD12 ' HA ' ' A' 1879 ' ' PRO . 6.7 mt -75.26 -12.21 60.23 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.588 -0.733 . . . . 0.0 112.131 -175.378 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1883 ' ' GLY . . . . . . . . . . . . . . . -75.38 -61.33 3.01 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.353 -0.927 . . . . 0.0 111.702 175.173 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1884 ' ' PRO . . . . . . . . . . . . . 9.2 Cg_endo -55.48 -41.19 80.49 Favored 'Trans proline' 0 C--N 1.346 0.444 0 C-N-CA 122.975 2.45 . . . . 0.0 112.495 174.71 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1885 ' ' LEU . . . . . . . . . . . . . 66.3 mt -60.15 -36.88 78.54 Favored 'General case' 0 N--CA 1.464 0.225 0 CA-C-O 120.519 0.199 . . . . 0.0 111.206 179.752 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1886 ' ' ALA . . . . . 0.448 ' HB1' ' HB ' ' A' 1931 ' ' VAL . . . -64.36 -49.47 71.51 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.996 0.427 . . . . 0.0 110.29 178.004 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1887 ' ' ASN . . . . . . . . . . . . . 46.4 t30 -61.66 -39.71 92.34 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.259 178.099 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1888 ' ' GLN . . . . . . . . . . . . . 34.8 tp60 -61.12 -50.55 72.79 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.423 -0.808 . . . . 0.0 111.135 179.267 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1889 ' ' LEU . . . . . 0.569 HD11 HG12 ' A' 1868 ' ' VAL . 1.6 tt -57.98 -44.06 86.9 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.344 0.592 . . . . 0.0 109.493 178.105 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1890 ' ' THR . . . . . . . . . . . . . 60.7 m -61.03 -47.85 84.51 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.344 -0.843 . . . . 0.0 111.432 -179.159 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1891 ' ' SER . . . . . . . . . . . . . 20.5 t -64.5 -36.12 83.18 Favored 'General case' 0 C--O 1.236 0.388 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.961 -177.748 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1892 ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -72.78 -39.1 67.03 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.923 178.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1893 ' ' TYR . . . . . . . . . . . . . 45.7 t80 -60.24 -39.13 85.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.634 0.254 . . . . 0.0 110.596 175.818 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1894 ' ' GLY . . . . . . . . . . . . . . . -60.86 -32.12 78.4 Favored Glycine 0 CA--C 1.517 0.205 0 C-N-CA 120.854 -0.688 . . . . 0.0 112.006 176.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1895 ' ' ARG . . . . . 0.495 HH21 ' HA ' ' A' 1860 ' ' THR . 41.1 ttp-105 -78.36 -26.58 46.69 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.304 0.574 . . . . 0.0 110.167 178.106 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1896 ' ' LEU . . . . . 0.477 HD12 ' HB2' ' A' 1857 ' ' MET . 52.8 tp -73.17 -54.92 7.25 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.465 -0.789 . . . . 0.0 110.957 179.118 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1897 ' ' ALA . . . . . . . . . . . . . . . -65.73 -24.98 67.09 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.916 -0.584 . . . . 0.0 112.065 -174.767 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1898 ' ' SER . . . . . . . . . . . . . 8.8 p -80.42 -19.67 45.65 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.921 0.391 . . . . 0.0 110.849 -174.663 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1899 ' ' GLN . . . . . . . . . . . . . 79.9 mm-40 -89.86 -11.23 42.55 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.611 177.184 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1900 ' ' ALA . . . . . . . . . . . . . . . -71.51 -31.86 67.55 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.653 179.469 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1901 ' ' LYS . . . . . 0.472 ' HB3' ' HD3' ' A' 1902 ' ' PRO . 9.2 tmtm? -66.96 -56.46 13.65 Favored Pre-proline 0 CA--C 1.541 0.607 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.189 -178.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1902 ' ' PRO . . . . . 0.472 ' HD3' ' HB3' ' A' 1901 ' ' LYS . 53.0 Cg_endo -70.13 -18.79 35.06 Favored 'Trans proline' 0 C--N 1.354 0.82 0 C-N-CA 121.965 1.776 . . . . 0.0 112.688 179.399 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1903 ' ' ALA . . . . . . . . . . . . . . . -75.94 -35.38 59.73 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.914 0.388 . . . . 0.0 110.721 177.522 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1904 ' ' ALA . . . . . . . . . . . . . . . -70.41 -30.98 67.99 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.087 0.47 . . . . 0.0 110.558 -177.096 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1905 ' ' VAL . . . . . 0.43 HG22 ' HA ' ' A' 1902 ' ' PRO . 33.9 m -89.29 -7.63 10.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.601 -177.589 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1906 ' ' ALA . . . . . . . . . . . . . . . -113.03 12.02 19.13 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.058 0.456 . . . . 0.0 110.386 178.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1907 ' ' ALA . . . . . . . . . . . . . . . -84.94 125.51 32.73 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.882 -178.619 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1908 ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -69.77 -35.5 74.96 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.5 179.414 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1909 ' ' ASN . . . . . 0.763 ' HB2' HG13 ' A' 1912 ' ' ILE . 2.3 m-20 -103.33 153.64 20.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.114 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1910 ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -62.09 -53.14 59.65 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.868 177.894 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1911 ' ' GLU . . . . . 0.476 ' HB3' ' CD2' ' A' 1915 ' ' HIS . 32.8 mt-10 -59.76 -36.19 76.13 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.444 -0.798 . . . . 0.0 111.969 -175.262 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1912 ' ' ILE . . . . . 0.763 HG13 ' HB2' ' A' 1909 ' ' ASN . 57.1 mt -55.98 -52.87 44.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 N-CA-C 110.307 -0.257 . . . . 0.0 110.307 -179.126 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1913 ' ' GLY . . . . . 0.423 ' O ' ' HD3' ' A' 1917 ' ' LYS . . . -67.81 -25.14 74.23 Favored Glycine 0 N--CA 1.449 -0.5 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.418 -178.774 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1914 ' ' ALA . . . . . . . . . . . . . . . -81.23 -50.94 8.96 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 122.769 -0.253 . . . . 0.0 111.306 -178.54 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1915 ' ' HIS . . . . . 0.62 ' O ' ' HG2' ' A' 1919 ' ' ARG . 72.5 m-70 -55.48 -44.19 76.26 Favored 'General case' 0 CA--C 1.519 -0.229 0 CA-C-N 116.515 -0.311 . . . . 0.0 111.433 -175.057 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1916 ' ' ILE . . . . . 0.551 HD11 ' HZ ' ' A' 1850 ' ' PHE . 81.8 mt -49.25 -54.58 5.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 121.372 0.606 . . . . 0.0 110.983 178.782 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1917 ' ' LYS . . . . . 0.446 ' HA ' HG22 ' A' 1920 ' ' VAL . 19.9 mtpp -68.95 -32.28 71.76 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.25 -0.886 . . . . 0.0 111.258 -175.5 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1918 ' ' HIS . . . . . . . . . . . . . 70.1 m-70 -67.91 -35.16 77.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.987 0.422 . . . . 0.0 111.097 178.326 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1919 ' ' ARG . . . . . 0.803 ' HD3' ' HB3' ' A' 1963 ' ' HIS . 1.7 mmp_? -81.59 -40.76 22.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.636 -175.864 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1920 ' ' VAL . . . . . 0.446 HG22 ' HA ' ' A' 1917 ' ' LYS . 33.1 m -66.57 -26.79 38.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 C-N-CA 120.822 -0.351 . . . . 0.0 110.744 179.134 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1921 ' ' GLN . . . . . . . . . . . . . 26.3 tt0 -67.04 -44.07 81.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.058 0.456 . . . . 0.0 110.298 176.686 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1922 ' ' GLU . . . . . . . . . . . . . 24.7 tt0 -71.13 -35.44 71.73 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-N 115.944 -0.571 . . . . 0.0 109.634 -179.098 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1923 ' ' LEU . . . . . . . . . . . . . 11.5 mt -64.24 -44.91 90.35 Favored 'General case' 0 C--O 1.224 -0.272 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.715 174.286 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1924 ' ' GLY . . . . . . . . . . . . . . . -54.78 -44.34 80.77 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 121.29 -0.481 . . . . 0.0 112.87 -179.01 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1925 ' ' HIS . . . . . . . . . . . . . 27.5 m80 -63.89 -45.08 90.98 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.707 0.289 . . . . 0.0 110.608 178.043 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1926 ' ' GLY . . . . . 0.401 ' O ' ' HB2' ' A' 1930 ' ' LEU . . . -65.97 -42.6 94.69 Favored Glycine 0 N--CA 1.449 -0.454 0 C-N-CA 120.897 -0.668 . . . . 0.0 112.506 179.905 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1927 ' ' CYS . . . . . . . . . . . . . 72.8 m -62.9 -46.09 89.46 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.682 0.277 . . . . 0.0 110.706 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1928 ' ' SER . . . . . . . . . . . . . 18.2 m -65.49 -39.69 92.21 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.746 -178.376 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1929 ' ' ALA . . . . . . . . . . . . . . . -66.75 -40.62 88.35 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.882 0.372 . . . . 0.0 110.482 176.506 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1930 ' ' LEU . . . . . 0.401 ' HB2' ' O ' ' A' 1926 ' ' GLY . 0.4 OUTLIER -61.64 -51.4 68.62 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.698 -179.11 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A 1931 ' ' VAL . . . . . 0.448 ' HB ' ' HB1' ' A' 1886 ' ' ALA . 20.8 m -63.59 -27.58 43.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-O 120.702 0.287 . . . . 0.0 110.944 -178.07 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1932 ' ' THR . . . . . . . . . . . . . 57.6 m -69.87 -48.67 57.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.896 0.379 . . . . 0.0 110.114 175.899 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1933 ' ' LYS . . . . . . . . . . . . . 74.9 mmtt -66.69 -33.54 75.88 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.722 179.641 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1934 ' ' ALA . . . . . 0.528 ' HA ' HD12 ' A' 1950 ' ' LEU . . . -61.44 -48.68 80.03 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.585 176.89 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1935 ' ' GLY . . . . . . . . . . . . . . . -67.66 -31.58 76.49 Favored Glycine 0 N--CA 1.449 -0.47 0 C-N-CA 120.876 -0.678 . . . . 0.0 112.04 178.206 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1936 ' ' ALA . . . . . . . . . . . . . . . -68.36 -48.1 65.67 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.476 0.179 . . . . 0.0 110.765 177.66 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1937 ' ' LEU . . . . . 0.432 HD23 HD13 ' A' 1882 ' ' LEU . 24.3 tp -65.72 -33.99 77.16 Favored 'General case' 0 CA--C 1.515 -0.389 0 CA-C-O 121.214 0.531 . . . . 0.0 110.47 178.57 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1938 ' ' GLN . . . . . 0.569 ' HA ' ' HB2' ' A' 1879 ' ' PRO . 23.0 tt0 -58.88 -38.35 78.62 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.226 178.689 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1939 ' ' CYS . . . . . . . . . . . . . 48.3 t -83.07 -34.13 26.24 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.626 -0.715 . . . . 0.0 110.402 178.824 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1940 ' ' SER . . . . . . . . . . . . . 18.8 m -122.78 86.54 49.99 Favored Pre-proline 0 C--N 1.327 -0.397 0 CA-C-N 116.431 -0.349 . . . . 0.0 111.14 -178.649 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1941 ' ' PRO . . . . . . . . . . . . . 84.1 Cg_endo -83.8 -9.07 10.04 Favored 'Trans proline' 0 N--CA 1.463 -0.296 0 C-N-CA 122.704 2.269 . . . . 0.0 113.222 -176.441 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1942 ' ' SER . . . . . . . . . . . . . 36.6 m -94.87 -13.01 25.88 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.952 0.406 . . . . 0.0 110.548 -179.327 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1943 ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -79.9 99.33 7.52 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.019 -0.537 . . . . 0.0 109.936 175.809 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1944 ' ' VAL . . . . . 0.552 ' O ' ' HG2' ' A' 1948 ' ' LYS . 14.0 p -66.43 -33.1 61.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.344 -175.531 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1945 ' ' TYR . . . . . . . . . . . . . 90.3 m-85 -73.8 -31.0 63.04 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.543 0.211 . . . . 0.0 110.511 -178.687 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1946 ' ' THR . . . . . . . . . . . . . 79.7 m -61.84 -38.46 88.31 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.3 0.571 . . . . 0.0 109.504 173.193 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1947 ' ' LYS . . . . . . . . . . . . . 31.8 ttpt -69.85 -41.82 74.36 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.507 -0.77 . . . . 0.0 110.259 176.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1948 ' ' LYS . . . . . 0.577 ' HE2' ' HA ' ' A' 1948 ' ' LYS . 9.8 mmpt? -57.04 -46.01 82.73 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.657 -179.487 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1949 ' ' GLU . . . . . . . . . . . . . 19.4 mm-40 -55.51 -40.99 72.46 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.846 178.419 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1950 ' ' LEU . . . . . 0.702 HD11 HD22 ' A' 1882 ' ' LEU . 7.6 tt -63.39 -51.63 65.03 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.191 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1951 ' ' ILE . . . . . 0.618 ' HA ' HG12 ' A' 1872 ' ' VAL . 1.7 mp -61.91 -46.09 97.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.702 -178.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1952 ' ' GLU . . . . . . . . . . . . . 40.6 mm-40 -59.65 -40.44 87.72 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.322 178.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1953 ' ' CYS . . . . . 0.525 ' O ' HG13 ' A' 1957 ' ' VAL . 7.3 t -69.13 -44.77 71.7 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 116.56 -0.291 . . . . 0.0 110.599 -178.297 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1954 ' ' ALA . . . . . . . . . . . . . . . -64.36 -42.87 95.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.775 0.321 . . . . 0.0 111.69 -177.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1955 ' ' ARG . . . . . 0.45 HH11 ' HD3' ' A' 1955 ' ' ARG . 4.0 ptm180 -65.96 -35.54 80.88 Favored 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 121.056 -0.257 . . . . 0.0 111.059 -178.566 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1956 ' ' ARG . . . . . . . . . . . . . 18.7 ptp180 -80.9 -22.88 39.37 Favored 'General case' 0 C--O 1.225 -0.213 0 C-N-CA 120.714 -0.394 . . . . 0.0 111.443 -176.098 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1957 ' ' VAL . . . . . 0.525 HG13 ' O ' ' A' 1953 ' ' CYS . 12.9 m -85.42 -22.46 7.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 C-N-CA 120.372 -0.531 . . . . 0.0 110.69 174.814 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1958 ' ' SER . . . . . 0.682 ' O ' HG22 ' A' 1961 ' ' VAL . 29.6 t -62.16 -28.62 69.78 Favored 'General case' 0 CA--C 1.531 0.214 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.864 -178.675 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1959 ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -81.45 -26.36 35.37 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.893 0.378 . . . . 0.0 111.197 176.093 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1960 ' ' LYS . . . . . 0.49 ' HA ' ' ND1' ' A' 1963 ' ' HIS . 40.8 mttm -71.6 -27.69 63.29 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.554 -0.294 . . . . 0.0 110.584 -179.098 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1961 ' ' VAL . . . . . 0.833 HG21 ' HB2' ' A' 1865 ' ' ALA . 3.4 m -64.2 -33.79 64.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 N-CA-C 109.538 -0.542 . . . . 0.0 109.538 175.616 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1962 ' ' SER . . . . . 0.549 ' HA ' HD12 ' A' 1965 ' ' LEU . 32.8 t -75.74 -25.01 56.17 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-N 115.634 -0.712 . . . . 0.0 109.82 178.935 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1963 ' ' HIS . . . . . 0.803 ' HB3' ' HD3' ' A' 1919 ' ' ARG . 49.0 m170 -69.99 -29.48 66.58 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.05 178.263 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1964 ' ' VAL . . . . . 0.649 ' O ' HD23 ' A' 1968 ' ' LEU . 61.7 t -71.85 -45.22 66.07 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.183 0 N-CA-C 109.082 -0.71 . . . . 0.0 109.082 172.542 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1965 ' ' LEU . . . . . 0.549 HD12 ' HA ' ' A' 1962 ' ' SER . 82.0 mt -51.77 -45.93 63.94 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.848 -0.614 . . . . 0.0 111.299 179.871 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1966 ' ' ALA . . . . . . . . . . . . . . . -75.7 -28.15 58.5 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 112.033 0.383 . . . . 0.0 112.033 -177.616 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1967 ' ' ALA . . . . . . . . . . . . . . . -71.34 -36.87 71.69 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.828 0.347 . . . . 0.0 111.269 -178.327 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1968 ' ' LEU . . . . . 0.914 ' HB3' ' HG3' ' A' 1854 ' ' GLN . 3.9 mm? -79.86 -33.71 39.9 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.898 -177.595 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1969 ' ' GLN . . . . . . . . . . . . . 48.0 mt-30 . . . . . 0 C--N 1.325 -0.468 0 CA-C-O 121.697 0.761 . . . . 0.0 109.65 -179.726 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A 1850 ' ' PHE . . . . . . . . . . . . . 83.8 t80 . . . . . 0 CA--C 1.53 0.201 0 CA-C-O 120.796 0.331 . . . . 0.0 111.19 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A 1851 ' ' VAL . . . . . . . . . . . . . 7.2 m -62.73 -28.69 45.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-O 121.007 0.432 . . . . 0.0 111.179 -178.545 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1852 ' ' ASP . . . . . . . . . . . . . 18.5 t70 -80.48 -47.4 14.35 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.175 177.89 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1853 ' ' TYR . . . . . 0.562 ' HB3' ' HB2' ' A' 1903 ' ' ALA . 30.1 m-85 -61.12 -37.16 81.82 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.521 -0.763 . . . . 0.0 111.144 -178.609 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1854 ' ' GLN . . . . . 0.674 ' HG3' ' HB3' ' A' 1968 ' ' LEU . 32.3 tt0 -57.14 -59.99 4.26 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.78 176.761 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1855 ' ' THR . . . . . 0.445 ' O ' ' HG2' ' A' 1859 ' ' ARG . 85.2 m -67.28 -34.23 76.96 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.999 -0.546 . . . . 0.0 112.192 -174.891 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1856 ' ' THR . . . . . 0.479 HG22 ' O ' ' A' 1853 ' ' TYR . 5.0 t -64.98 -46.05 83.08 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 112.015 0.376 . . . . 0.0 112.015 -172.409 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1857 ' ' MET . . . . . 0.659 ' SD ' HD21 ' A' 1968 ' ' LEU . 4.9 ptp -81.99 -30.63 31.51 Favored 'General case' 0 C--N 1.331 -0.21 0 O-C-N 122.009 -0.432 . . . . 0.0 112.092 -175.876 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1858 ' ' VAL . . . . . 0.42 HG13 ' O ' ' A' 1854 ' ' GLN . 28.9 m -64.02 -29.79 48.27 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.105 0 C-N-CA 120.051 -0.66 . . . . 0.0 109.567 177.598 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1859 ' ' ARG . . . . . 0.445 ' HG2' ' O ' ' A' 1855 ' ' THR . 11.7 mmt85 -64.14 -45.37 88.8 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.391 173.352 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1860 ' ' THR . . . . . . . . . . . . . 3.9 m -67.65 -39.17 84.6 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.682 -179.594 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1861 ' ' ALA . . . . . 0.509 ' HB1' ' HB ' ' A' 1961 ' ' VAL . . . -58.66 -42.41 88.34 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.364 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1862 ' ' LYS . . . . . . . . . . . . . 39.6 mttm -63.6 -39.37 94.19 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.688 178.848 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1863 ' ' ALA . . . . . . . . . . . . . . . -66.29 -35.84 81.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.812 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1864 ' ' ILE . . . . . 0.605 ' O ' HG13 ' A' 1868 ' ' VAL . 73.8 mt -66.88 -45.68 86.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.069 175.439 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1865 ' ' ALA . . . . . 0.813 ' HB2' HG21 ' A' 1961 ' ' VAL . . . -58.2 -43.91 87.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.007 -0.542 . . . . 0.0 112.037 -177.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1866 ' ' VAL . . . . . . . . . . . . . 13.9 p -68.83 -33.42 59.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 C-N-CA 120.636 -0.426 . . . . 0.0 110.433 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1867 ' ' THR . . . . . 0.618 ' O ' ' HG3' ' A' 1871 ' ' MET . 96.7 m -62.76 -51.75 65.89 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.508 -0.314 . . . . 0.0 110.681 177.843 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1868 ' ' VAL . . . . . 0.605 HG13 ' O ' ' A' 1864 ' ' ILE . 2.5 m -62.41 -31.09 50.63 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.222 0 CA-C-O 121.508 0.671 . . . . 0.0 110.161 -178.817 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1869 ' ' GLN . . . . . . . . . . . . . 8.9 tp-100 -74.14 -28.54 61.38 Favored 'General case' 0 N--CA 1.426 -1.67 0 CA-C-N 114.979 -1.009 . . . . 0.0 110.282 -178.451 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1870 ' ' GLU . . . . . 0.475 ' O ' ' HG2' ' A' 1874 ' ' LYS . 34.1 mt-10 -73.65 -47.44 39.94 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.078 172.029 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1871 ' ' MET . . . . . 0.618 ' HG3' ' O ' ' A' 1867 ' ' THR . 67.1 mtp -54.37 -46.51 73.03 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.568 -0.742 . . . . 0.0 111.315 -176.248 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1872 ' ' VAL . . . . . 0.511 ' HB ' HG13 ' A' 1951 ' ' ILE . 30.0 m -67.73 -32.81 58.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-O 120.831 0.348 . . . . 0.0 111.469 179.455 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1873 ' ' THR . . . . . . . . . . . . . 97.1 m -68.94 -39.12 79.75 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.324 0.583 . . . . 0.0 110.33 177.575 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1874 ' ' LYS . . . . . 0.475 ' HG2' ' O ' ' A' 1870 ' ' GLU . 67.6 mmtt -70.94 -38.48 72.87 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.54 -0.754 . . . . 0.0 111.307 -178.388 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1875 ' ' SER . . . . . . . . . . . . . 96.3 p -56.63 -20.79 22.99 Favored 'General case' 0 N--CA 1.465 0.295 0 N-CA-C 112.841 0.682 . . . . 0.0 112.841 -172.256 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1876 ' ' ASN . . . . . . . . . . . . . 88.6 m-20 -75.27 -19.71 59.55 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 111.769 0.285 . . . . 0.0 111.769 -177.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1877 ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -140.53 -37.55 0.45 Allowed 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 112.747 0.647 . . . . 0.0 112.747 -174.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1878 ' ' SER . . . . . . . . . . . . . 20.8 m -123.37 98.34 41.37 Favored Pre-proline 0 C--N 1.32 -0.697 0 CA-C-N 116.546 -0.297 . . . . 0.0 111.224 -174.805 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1879 ' ' PRO . . . . . 0.97 ' HA ' HD12 ' A' 1882 ' ' LEU . 53.7 Cg_endo -89.75 -14.56 2.39 Favored 'Trans proline' 0 N--CA 1.446 -1.316 0 C-N-CA 121.708 1.605 . . . . 0.0 112.933 178.509 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1880 ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -78.75 -42.25 28.57 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 112.042 0.386 . . . . 0.0 112.042 -175.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1881 ' ' GLU . . . . . 0.442 ' CD ' ' HD2' ' A' 1874 ' ' LYS . 15.3 pt-20 -72.14 -11.57 60.8 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.418 0.628 . . . . 0.0 110.331 -179.056 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1882 ' ' LEU . . . . . 0.97 HD12 ' HA ' ' A' 1879 ' ' PRO . 0.6 OUTLIER -63.32 -20.57 65.61 Favored 'General case' 0 N--CA 1.449 -0.489 0 CA-C-N 115.377 -0.829 . . . . 0.0 111.826 176.488 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A 1883 ' ' GLY . . . . . . . . . . . . . . . -62.64 -60.87 7.13 Favored Glycine 0 CA--C 1.518 0.258 0 C-N-CA 120.561 -0.828 . . . . 0.0 111.798 176.469 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1884 ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -51.3 -40.31 61.59 Favored 'Trans proline' 0 C--N 1.346 0.425 0 C-N-CA 122.722 2.281 . . . . 0.0 112.412 172.702 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1885 ' ' LEU . . . . . 0.544 ' HB3' ' HG2' ' A' 1871 ' ' MET . 57.1 mt -63.53 -39.61 94.87 Favored 'General case' 0 C--O 1.231 0.117 0 CA-C-N 116.506 -0.316 . . . . 0.0 111.164 179.315 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1886 ' ' ALA . . . . . . . . . . . . . . . -63.74 -44.37 93.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.969 0.414 . . . . 0.0 110.38 177.101 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1887 ' ' ASN . . . . . . . . . . . . . 88.0 m-20 -62.03 -38.88 90.36 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.938 -0.574 . . . . 0.0 109.886 176.683 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1888 ' ' GLN . . . . . . . . . . . . . 31.3 tp60 -61.59 -46.49 89.63 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.581 -0.736 . . . . 0.0 111.125 179.695 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1889 ' ' LEU . . . . . 0.482 HD12 ' SD ' ' A' 1871 ' ' MET . 1.4 tt -60.05 -46.96 87.81 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 109.179 -0.675 . . . . 0.0 109.179 176.633 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1890 ' ' THR . . . . . . . . . . . . . 45.6 m -57.57 -40.59 79.29 Favored 'General case' 0 C--O 1.237 0.443 0 CA-C-N 115.144 -0.935 . . . . 0.0 111.465 -179.757 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1891 ' ' SER . . . . . . . . . . . . . 48.1 m -66.71 -53.01 38.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.365 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1892 ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -63.72 -37.99 89.42 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 111.81 0.3 . . . . 0.0 111.81 -176.373 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1893 ' ' TYR . . . . . . . . . . . . . 51.8 t80 -58.2 -34.99 70.97 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-O 120.697 0.285 . . . . 0.0 110.797 177.522 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1894 ' ' GLY . . . . . . . . . . . . . . . -58.19 -42.36 95.26 Favored Glycine 0 N--CA 1.449 -0.461 0 C-N-CA 120.967 -0.635 . . . . 0.0 112.008 179.436 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1895 ' ' ARG . . . . . . . . . . . . . 9.8 ttp180 -66.4 -45.19 80.8 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.84 -0.429 . . . . 0.0 109.84 179.107 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1896 ' ' LEU . . . . . 0.459 HD12 ' HB2' ' A' 1857 ' ' MET . 57.3 tp -55.95 -50.55 70.45 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.32 -179.757 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1897 ' ' ALA . . . . . . . . . . . . . . . -64.01 -25.59 68.19 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.342 -178.491 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1898 ' ' SER . . . . . . . . . . . . . 48.9 m -81.58 -21.4 38.41 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.36 0.6 . . . . 0.0 110.095 -176.879 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1899 ' ' GLN . . . . . 0.451 ' OE1' ' HA ' ' A' 1857 ' ' MET . 81.0 mt-30 -91.36 -9.67 44.0 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.267 -0.879 . . . . 0.0 109.778 178.754 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1900 ' ' ALA . . . . . . . . . . . . . . . -80.23 -39.66 28.62 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-N 115.442 -0.799 . . . . 0.0 111.46 -178.805 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1901 ' ' LYS . . . . . 0.427 ' HB3' ' HD3' ' A' 1902 ' ' PRO . 87.6 tttt -63.54 -57.3 20.38 Favored Pre-proline 0 CA--C 1.538 0.495 0 CA-C-N 116.162 -0.472 . . . . 0.0 112.125 -176.263 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1902 ' ' PRO . . . . . 0.522 ' HA ' HG22 ' A' 1905 ' ' VAL . 37.5 Cg_endo -65.56 -22.57 58.27 Favored 'Trans proline' 0 C--N 1.355 0.882 0 C-N-CA 121.902 1.735 . . . . 0.0 112.177 -178.785 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1903 ' ' ALA . . . . . 0.562 ' HB2' ' HB3' ' A' 1853 ' ' TYR . . . -72.13 -33.55 67.89 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.057 0.456 . . . . 0.0 110.437 177.23 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1904 ' ' ALA . . . . . 0.421 ' HB2' ' HD2' ' A' 1917 ' ' LYS . . . -76.87 -38.41 53.72 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.773 -0.649 . . . . 0.0 111.07 -176.62 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1905 ' ' VAL . . . . . 0.522 HG22 ' HA ' ' A' 1902 ' ' PRO . 29.5 m -75.64 -14.06 15.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.894 -179.693 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1906 ' ' ALA . . . . . . . . . . . . . . . -95.81 -25.41 16.05 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.956 0.407 . . . . 0.0 110.697 176.395 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1907 ' ' ALA . . . . . . . . . . . . . . . -67.1 116.61 8.1 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.65 -176.691 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1908 ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -75.67 -32.52 60.2 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.61 -0.723 . . . . 0.0 111.045 177.422 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1909 ' ' ASN . . . . . . . . . . . . . 40.9 t-20 -80.74 131.62 35.45 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.233 -177.37 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1910 ' ' GLU . . . . . . . . . . . . . 44.3 tt0 -52.69 -51.8 58.71 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.285 -0.87 . . . . 0.0 111.489 -178.737 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1911 ' ' GLU . . . . . . . . . . . . . 11.6 mt-10 -70.95 -37.19 72.81 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.805 -0.634 . . . . 0.0 112.053 -173.857 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1912 ' ' ILE . . . . . 0.552 ' O ' HG13 ' A' 1916 ' ' ILE . 56.0 mt -56.4 -53.29 42.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 C-N-CA 120.574 -0.45 . . . . 0.0 109.823 178.873 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1913 ' ' GLY . . . . . . . . . . . . . . . -62.74 -33.63 87.37 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.95 -0.643 . . . . 0.0 112.53 179.572 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1914 ' ' ALA . . . . . . . . . . . . . . . -73.31 -47.86 39.23 Favored 'General case' 0 C--N 1.329 -0.3 0 O-C-N 122.766 -0.255 . . . . 0.0 110.907 -178.438 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1915 ' ' HIS . . . . . 0.485 ' O ' ' HG2' ' A' 1919 ' ' ARG . 71.6 m-70 -60.01 -40.34 88.91 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.101 -177.704 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1916 ' ' ILE . . . . . 0.552 HG13 ' O ' ' A' 1912 ' ' ILE . 90.2 mt -52.52 -59.43 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 O-C-N 123.473 0.483 . . . . 0.0 111.393 -179.224 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1917 ' ' LYS . . . . . 0.581 ' HA ' HG22 ' A' 1920 ' ' VAL . 0.0 OUTLIER -71.02 -36.2 72.3 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 120.591 -0.444 . . . . 0.0 111.122 -178.968 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A 1918 ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -56.9 -41.32 77.89 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.689 0.281 . . . . 0.0 111.519 179.838 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1919 ' ' ARG . . . . . 0.485 ' HG2' ' O ' ' A' 1915 ' ' HIS . 31.6 mmt180 -76.9 -43.61 35.05 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.564 -0.289 . . . . 0.0 111.209 -178.197 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1920 ' ' VAL . . . . . 0.581 HG22 ' HA ' ' A' 1917 ' ' LYS . 28.8 m -71.89 -31.55 41.29 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.212 0 C-N-CA 120.958 -0.297 . . . . 0.0 111.507 -177.675 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1921 ' ' GLN . . . . . 0.56 ' HB2' ' O ' ' A' 1917 ' ' LYS . 0.0 OUTLIER -65.64 -44.64 85.79 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 109.145 -0.687 . . . . 0.0 109.145 177.369 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A 1922 ' ' GLU . . . . . 0.822 ' HB3' ' HD3' ' A' 1960 ' ' LYS . 12.8 mm-40 -69.16 -31.56 70.3 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.305 -0.861 . . . . 0.0 111.17 176.326 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1923 ' ' LEU . . . . . 0.438 ' HB2' ' HA ' ' A' 1920 ' ' VAL . 21.3 mt -65.48 -29.5 70.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.357 173.709 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1924 ' ' GLY . . . . . . . . . . . . . . . -62.15 -47.27 90.94 Favored Glycine 0 N--CA 1.447 -0.604 0 C-N-CA 120.824 -0.703 . . . . 0.0 111.416 174.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1925 ' ' HIS . . . . . . . . . . . . . 35.9 m170 -58.99 -47.17 86.12 Favored 'General case' 0 CA--C 1.519 -0.219 0 CA-C-O 120.939 0.399 . . . . 0.0 110.229 176.592 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1926 ' ' GLY . . . . . 0.405 ' O ' ' HB2' ' A' 1930 ' ' LEU . . . -62.29 -47.28 90.79 Favored Glycine 0 N--CA 1.449 -0.494 0 C-N-CA 120.883 -0.675 . . . . 0.0 112.211 179.701 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1927 ' ' CYS . . . . . 0.453 ' SG ' HD22 ' A' 1889 ' ' LEU . 38.9 t -58.9 -51.29 70.67 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.59 0.233 . . . . 0.0 110.672 178.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1928 ' ' SER . . . . . . . . . . . . . 20.4 t -63.01 -39.74 95.67 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.905 -176.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1929 ' ' ALA . . . . . . . . . . . . . . . -69.49 -45.74 68.25 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.614 0.245 . . . . 0.0 110.901 178.816 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1930 ' ' LEU . . . . . 0.405 ' HB2' ' O ' ' A' 1926 ' ' GLY . 0.5 OUTLIER -59.71 -48.63 80.92 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.703 -178.757 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A 1931 ' ' VAL . . . . . . . . . . . . . 32.7 m -64.66 -31.47 53.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 C-N-CA 121.074 -0.25 . . . . 0.0 111.229 -177.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1932 ' ' THR . . . . . . . . . . . . . 87.9 m -66.24 -42.47 88.56 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.029 0.442 . . . . 0.0 110.349 176.378 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1933 ' ' LYS . . . . . 0.422 ' HD3' ' HA ' ' A' 1933 ' ' LYS . 68.5 mmtt -73.05 -34.25 66.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.027 179.005 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1934 ' ' ALA . . . . . . . . . . . . . . . -60.73 -47.83 84.53 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 110.132 -0.321 . . . . 0.0 110.132 175.58 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1935 ' ' GLY . . . . . . . . . . . . . . . -69.62 -31.22 70.61 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.98 -0.628 . . . . 0.0 112.366 178.028 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1936 ' ' ALA . . . . . . . . . . . . . . . -67.14 -49.39 65.01 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.769 0.319 . . . . 0.0 110.907 178.484 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1937 ' ' LEU . . . . . 0.554 ' HB2' HG22 ' A' 1946 ' ' THR . 43.8 tp -67.4 -31.07 71.04 Favored 'General case' 0 CA--C 1.514 -0.433 0 CA-C-O 121.296 0.57 . . . . 0.0 109.668 178.313 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1938 ' ' GLN . . . . . 0.424 ' HA ' ' HB2' ' A' 1879 ' ' PRO . 10.5 tt0 -57.26 -39.38 75.5 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.138 -0.937 . . . . 0.0 110.571 178.565 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1939 ' ' CYS . . . . . . . . . . . . . 47.5 m -87.14 -13.26 44.63 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.692 -0.686 . . . . 0.0 111.601 -178.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1940 ' ' SER . . . . . . . . . . . . . 50.4 m -149.96 88.01 4.92 Favored Pre-proline 0 C--N 1.327 -0.402 0 CA-C-O 120.75 0.31 . . . . 0.0 111.562 -177.379 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1941 ' ' PRO . . . . . 0.834 ' HB3' ' HG3' ' A' 1879 ' ' PRO . 60.7 Cg_endo -74.48 -11.19 22.47 Favored 'Trans proline' 0 C--O 1.233 0.268 0 C-N-CA 122.622 2.214 . . . . 0.0 112.587 -179.671 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1942 ' ' SER . . . . . . . . . . . . . 31.0 m -86.96 -5.26 59.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.299 -178.262 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1943 ' ' ASP . . . . . . . . . . . . . 18.1 t70 -94.08 106.23 18.21 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.838 0.351 . . . . 0.0 110.162 -179.719 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1944 ' ' VAL . . . . . 0.494 ' O ' ' HG2' ' A' 1948 ' ' LYS . 8.2 p -70.82 -34.01 54.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.372 -176.032 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1945 ' ' TYR . . . . . 0.435 ' O ' ' HG3' ' A' 1949 ' ' GLU . 47.0 m-85 -59.21 -48.31 82.08 Favored 'General case' 0 CA--C 1.518 -0.274 0 CA-C-O 120.593 0.235 . . . . 0.0 111.024 -177.805 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1946 ' ' THR . . . . . 0.554 HG22 ' HB2' ' A' 1937 ' ' LEU . 88.5 m -57.31 -41.28 79.57 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.035 178.661 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1947 ' ' LYS . . . . . . . . . . . . . 27.4 ttpt -67.27 -42.72 83.38 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 110.137 -0.32 . . . . 0.0 110.137 179.055 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1948 ' ' LYS . . . . . 0.504 ' HE2' ' HA ' ' A' 1948 ' ' LYS . 9.3 mmpt? -58.31 -50.83 72.24 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.24 -0.436 . . . . 0.0 109.883 178.242 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1949 ' ' GLU . . . . . 0.435 ' HG3' ' O ' ' A' 1945 ' ' TYR . 37.5 mt-10 -62.34 -28.53 69.81 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.344 -178.709 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1950 ' ' LEU . . . . . . . . . . . . . 7.0 tt -62.89 -48.66 78.0 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 177.893 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1951 ' ' ILE . . . . . 0.511 HG13 ' HB ' ' A' 1872 ' ' VAL . 1.9 mp -64.72 -45.25 95.77 Favored 'Isoleucine or valine' 0 C--O 1.235 0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.197 175.566 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1952 ' ' GLU . . . . . 0.406 ' O ' ' HG3' ' A' 1956 ' ' ARG . 17.7 mm-40 -61.42 -26.76 68.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.784 -0.644 . . . . 0.0 112.09 -177.901 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1953 ' ' CYS . . . . . . . . . . . . . 10.2 t -86.38 -40.76 15.09 Favored 'General case' 0 C--N 1.322 -0.6 0 C-N-CA 121.054 -0.259 . . . . 0.0 110.419 179.432 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1954 ' ' ALA . . . . . . . . . . . . . . . -62.47 -42.45 99.49 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.25 -179.171 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1955 ' ' ARG . . . . . 0.42 HH11 ' HD3' ' A' 1955 ' ' ARG . 0.0 OUTLIER -62.72 -23.44 67.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.047 0.451 . . . . 0.0 110.75 -179.677 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A 1956 ' ' ARG . . . . . 0.406 ' HG3' ' O ' ' A' 1952 ' ' GLU . 64.3 mtp180 -73.99 -39.12 63.87 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.622 178.018 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1957 ' ' VAL . . . . . 0.624 ' O ' HG13 ' A' 1961 ' ' VAL . 8.8 m -86.32 -30.07 6.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.692 -174.181 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1958 ' ' SER . . . . . 0.448 ' O ' HG22 ' A' 1961 ' ' VAL . 15.5 p -65.94 -32.05 73.32 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.399 0.618 . . . . 0.0 110.476 179.526 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1959 ' ' GLU . . . . . . . . . . . . . 30.7 mm-40 -79.98 -28.66 39.5 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.296 0.569 . . . . 0.0 109.973 173.544 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1960 ' ' LYS . . . . . 0.822 ' HD3' ' HB3' ' A' 1922 ' ' GLU . 27.5 ttmt -74.79 -35.92 62.5 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.549 -0.75 . . . . 0.0 110.476 -176.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1961 ' ' VAL . . . . . 0.813 HG21 ' HB2' ' A' 1865 ' ' ALA . 14.8 m -66.22 -33.54 64.18 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.156 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 174.124 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1962 ' ' SER . . . . . 0.544 ' HA ' HD12 ' A' 1965 ' ' LEU . 44.5 m -68.37 -26.31 65.52 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.09 177.743 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1963 ' ' HIS . . . . . . . . . . . . . 60.1 m170 -76.61 -25.04 53.46 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.213 177.625 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1964 ' ' VAL . . . . . 0.58 ' O ' HD23 ' A' 1968 ' ' LEU . 91.3 t -68.88 -45.97 79.87 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.259 0 N-CA-C 108.796 -0.816 . . . . 0.0 108.796 171.027 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1965 ' ' LEU . . . . . 0.563 ' HG ' ' O ' ' A' 1961 ' ' VAL . 49.0 mt -53.39 -46.79 69.82 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.165 -0.925 . . . . 0.0 110.745 179.257 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1966 ' ' ALA . . . . . . . . . . . . . . . -71.62 -39.14 70.64 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.851 179.883 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1967 ' ' ALA . . . . . . . . . . . . . . . -59.6 -43.35 93.75 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-O 120.874 0.369 . . . . 0.0 111.94 -176.5 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1968 ' ' LEU . . . . . 0.674 ' HB3' ' HG3' ' A' 1854 ' ' GLN . 4.0 mm? -74.2 -19.15 60.63 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.947 -176.914 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1969 ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 . . . . . 0 C--N 1.326 -0.428 0 CA-C-O 120.983 0.42 . . . . 0.0 110.345 179.991 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A 1850 ' ' PHE . . . . . . . . . . . . . 77.9 t80 . . . . . 0 N--CA 1.452 -0.333 0 N-CA-C 108.726 -0.842 . . . . 0.0 108.726 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A 1851 ' ' VAL . . . . . . . . . . . . . 19.6 t -56.55 -44.61 81.17 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.918 0 CA-C-N 115.076 -0.965 . . . . 0.0 110.451 173.036 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1852 ' ' ASP . . . . . . . . . . . . . 15.2 t70 -59.82 -49.71 76.64 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.89 -0.595 . . . . 0.0 111.132 177.244 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1853 ' ' TYR . . . . . 0.516 ' O ' HG22 ' A' 1856 ' ' THR . 24.8 m-85 -63.28 -41.88 99.04 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.566 -179.713 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1854 ' ' GLN . . . . . 0.893 ' HG3' ' HB3' ' A' 1968 ' ' LEU . 6.2 tt0 -56.93 -57.1 13.98 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.646 176.909 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1855 ' ' THR . . . . . 0.576 ' O ' ' HG2' ' A' 1859 ' ' ARG . 35.0 m -57.19 -44.2 83.39 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.732 -0.667 . . . . 0.0 112.239 -174.647 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1856 ' ' THR . . . . . 0.516 HG22 ' O ' ' A' 1853 ' ' TYR . 14.2 t -62.41 -45.08 94.73 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 120.971 -0.292 . . . . 0.0 111.688 -175.343 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1857 ' ' MET . . . . . 0.5 ' HB2' HD12 ' A' 1896 ' ' LEU . 11.9 ptm -82.38 -24.08 34.65 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 120.722 -0.391 . . . . 0.0 111.792 -174.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1858 ' ' VAL . . . . . 0.465 HG13 ' O ' ' A' 1854 ' ' GLN . 27.4 m -73.42 -34.86 44.24 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.17 0 C-N-CA 119.799 -0.761 . . . . 0.0 109.986 174.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1859 ' ' ARG . . . . . 0.576 ' HG2' ' O ' ' A' 1855 ' ' THR . 37.0 mmt180 -61.55 -40.89 96.34 Favored 'General case' 0 N--CA 1.463 0.216 0 N-CA-C 109.255 -0.646 . . . . 0.0 109.255 172.636 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1860 ' ' THR . . . . . . . . . . . . . 32.8 m -66.3 -42.85 87.73 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.046 -0.979 . . . . 0.0 111.202 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1861 ' ' ALA . . . . . . . . . . . . . . . -59.4 -42.1 90.98 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.962 0.411 . . . . 0.0 110.76 178.585 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1862 ' ' LYS . . . . . . . . . . . . . 50.8 mttm -66.35 -38.19 87.04 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.303 178.111 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1863 ' ' ALA . . . . . . . . . . . . . . . -66.7 -38.01 85.87 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.775 177.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1864 ' ' ILE . . . . . 0.565 ' O ' HG13 ' A' 1868 ' ' VAL . 68.3 mt -64.39 -47.81 87.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.123 175.375 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1865 ' ' ALA . . . . . 0.784 ' HB2' HG21 ' A' 1961 ' ' VAL . . . -57.28 -49.52 75.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.973 -178.598 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1866 ' ' VAL . . . . . . . . . . . . . 12.3 p -64.58 -27.52 42.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 C-N-CA 120.787 -0.365 . . . . 0.0 110.67 -179.007 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1867 ' ' THR . . . . . 0.652 ' O ' ' HG3' ' A' 1871 ' ' MET . 85.4 m -66.51 -51.4 57.1 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-N 116.548 -0.296 . . . . 0.0 110.572 176.192 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1868 ' ' VAL . . . . . 0.565 HG13 ' O ' ' A' 1864 ' ' ILE . 1.6 m -65.17 -29.64 47.91 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.186 0 CA-C-O 121.745 0.784 . . . . 0.0 109.9 -178.835 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1869 ' ' GLN . . . . . . . . . . . . . 7.3 tp-100 -74.25 -27.04 60.57 Favored 'General case' 0 N--CA 1.425 -1.722 0 CA-C-N 114.779 -1.101 . . . . 0.0 110.225 179.853 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1870 ' ' GLU . . . . . 0.524 ' O ' ' HG2' ' A' 1874 ' ' LYS . 30.7 mt-10 -74.61 -39.62 62.05 Favored 'General case' 0 C--O 1.221 -0.406 0 N-CA-C 109.726 -0.472 . . . . 0.0 109.726 169.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1871 ' ' MET . . . . . 0.652 ' HG3' ' O ' ' A' 1867 ' ' THR . 43.4 mtp -56.03 -42.1 75.98 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.207 -177.643 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1872 ' ' VAL . . . . . 0.468 HG12 HG12 ' A' 1951 ' ' ILE . 15.6 m -72.31 -32.15 41.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.785 0.326 . . . . 0.0 111.47 177.643 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1873 ' ' THR . . . . . . . . . . . . . 90.0 m -71.94 -38.11 69.87 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.218 0.533 . . . . 0.0 110.38 178.254 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1874 ' ' LYS . . . . . 0.524 ' HG2' ' O ' ' A' 1870 ' ' GLU . 73.0 mmtt -68.49 -61.02 2.01 Favored 'General case' 0 C--O 1.214 -0.764 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.333 175.437 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1875 ' ' SER . . . . . . . . . . . . . 19.7 p -49.24 -28.91 5.06 Favored 'General case' 0 N--CA 1.472 0.637 0 N-CA-C 113.715 1.006 . . . . 0.0 113.715 -169.718 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1876 ' ' ASN . . . . . 0.435 ' HA ' ' HD2' ' A' 1947 ' ' LYS . 7.7 m-80 -58.37 -41.7 85.34 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 111.654 0.242 . . . . 0.0 111.654 178.637 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1877 ' ' THR . . . . . . . . . . . . . 53.1 p -121.51 -23.31 5.66 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.419 0.628 . . . . 0.0 111.539 -177.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1878 ' ' SER . . . . . . . . . . . . . 12.6 m -122.63 105.32 35.86 Favored Pre-proline 0 N--CA 1.439 -1.001 0 CA-C-N 115.237 -0.892 . . . . 0.0 111.853 -166.305 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1879 ' ' PRO . . . . . 0.539 ' HA ' HD12 ' A' 1882 ' ' LEU . 6.3 Cg_exo -79.85 -31.78 1.75 Allowed 'Trans proline' 0 N--CA 1.454 -0.837 0 C-N-CA 122.444 2.096 . . . . 0.0 111.167 172.608 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1880 ' ' GLU . . . . . . . . . . . . . 19.9 mt-10 -71.23 -41.91 69.56 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.041 -0.981 . . . . 0.0 111.118 -172.259 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1881 ' ' GLU . . . . . 0.435 ' CB ' ' HD2' ' A' 1874 ' ' LYS . 12.3 mm-40 -62.42 -14.96 46.28 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.534 -0.757 . . . . 0.0 111.814 -177.711 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1882 ' ' LEU . . . . . 0.539 HD12 ' HA ' ' A' 1879 ' ' PRO . 50.2 mt -76.32 -16.93 59.66 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.647 -177.141 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1883 ' ' GLY . . . . . 0.422 ' HA2' ' NE2' ' A' 1938 ' ' GLN . . . -64.72 -61.65 5.71 Favored Glycine 0 N--CA 1.453 -0.188 0 C-N-CA 120.818 -0.706 . . . . 0.0 112.684 178.925 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1884 ' ' PRO . . . . . . . . . . . . . 16.1 Cg_endo -59.4 -33.18 97.49 Favored 'Trans proline' 0 N--CA 1.461 -0.395 0 C-N-CA 122.449 2.099 . . . . 0.0 112.255 177.746 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1885 ' ' LEU . . . . . 0.443 ' HB3' ' HG2' ' A' 1871 ' ' MET . 69.6 mt -70.41 -41.63 72.7 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 111.843 0.312 . . . . 0.0 111.843 -178.387 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1886 ' ' ALA . . . . . . . . . . . . . . . -62.82 -43.33 99.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.189 0.519 . . . . 0.0 110.404 179.071 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1887 ' ' ASN . . . . . . . . . . . . . 86.6 m-20 -65.47 -39.84 92.46 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.02 175.685 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1888 ' ' GLN . . . . . . . . . . . . . 31.1 tp60 -63.15 -48.11 79.86 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.283 -178.602 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1889 ' ' LEU . . . . . 0.487 HD12 ' SD ' ' A' 1871 ' ' MET . 0.7 OUTLIER -58.16 -47.82 82.2 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.412 0.625 . . . . 0.0 109.317 177.968 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A 1890 ' ' THR . . . . . . . . . . . . . 87.1 m -58.19 -41.99 85.14 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.272 -0.876 . . . . 0.0 111.454 179.752 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1891 ' ' SER . . . . . . . . . . . . . 50.7 m -64.63 -48.64 74.12 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.516 -179.46 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1892 ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -71.85 -27.76 63.1 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 112.156 0.428 . . . . 0.0 112.156 -174.659 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1893 ' ' TYR . . . . . . . . . . . . . 44.9 t80 -61.09 -38.41 86.2 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.382 -0.527 . . . . 0.0 110.44 176.673 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1894 ' ' GLY . . . . . . . . . . . . . . . -63.27 -33.63 87.78 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.813 -0.708 . . . . 0.0 111.872 177.154 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1895 ' ' ARG . . . . . . . . . . . . . 34.4 ttm180 -69.02 -37.45 78.64 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.11 0.481 . . . . 0.0 110.361 176.587 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1896 ' ' LEU . . . . . 0.514 HD11 HG11 ' A' 1964 ' ' VAL . 57.1 tp -71.43 -53.17 14.9 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.451 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1897 ' ' ALA . . . . . . . . . . . . . . . -63.71 -24.83 67.93 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.925 -0.58 . . . . 0.0 112.234 -173.385 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1898 ' ' SER . . . . . . . . . . . . . 8.8 p -79.87 -24.8 40.98 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.757 0.313 . . . . 0.0 111.001 -176.27 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1899 ' ' GLN . . . . . 0.487 ' HA ' ' OE1' ' A' 1899 ' ' GLN . 12.2 mm-40 -83.81 -11.64 56.75 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.589 179.873 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1900 ' ' ALA . . . . . . . . . . . . . . . -67.68 -24.17 65.38 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.681 176.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1901 ' ' LYS . . . . . 0.71 ' HB3' ' HD3' ' A' 1902 ' ' PRO . 24.1 tptm -75.22 -56.55 1.92 Allowed Pre-proline 0 CA--C 1.542 0.659 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.609 -178.767 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1902 ' ' PRO . . . . . 0.71 ' HD3' ' HB3' ' A' 1901 ' ' LYS . 23.3 Cg_exo -64.98 -30.25 57.06 Favored 'Trans proline' 0 C--N 1.358 1.073 0 C-N-CA 121.986 1.791 . . . . 0.0 112.156 -179.867 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1903 ' ' ALA . . . . . . . . . . . . . . . -70.57 -27.0 63.8 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.685 178.691 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1904 ' ' ALA . . . . . . . . . . . . . . . -77.42 -36.14 53.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.644 -178.435 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1905 ' ' VAL . . . . . 0.414 HG22 ' HA ' ' A' 1902 ' ' PRO . 34.4 m -83.63 -9.07 11.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.184 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1906 ' ' ALA . . . . . . . . . . . . . . . -107.87 1.58 22.83 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.208 0.528 . . . . 0.0 110.594 176.305 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1907 ' ' ALA . . . . . 0.463 ' HB1' ' HB ' ' A' 1912 ' ' ILE . . . -72.04 119.71 16.61 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.894 -179.453 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1908 ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -67.41 -43.53 81.04 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.226 0.536 . . . . 0.0 110.533 179.233 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1909 ' ' ASN . . . . . 0.772 ' HB2' HG13 ' A' 1912 ' ' ILE . 0.9 OUTLIER -97.39 156.2 16.57 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.552 -177.508 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A 1910 ' ' GLU . . . . . . . . . . . . . 30.9 tt0 -62.33 -51.94 65.64 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.969 -179.726 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1911 ' ' GLU . . . . . 0.441 ' HB3' ' CD2' ' A' 1915 ' ' HIS . 32.3 mt-10 -65.25 -28.25 69.22 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.711 -0.677 . . . . 0.0 112.387 -174.19 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1912 ' ' ILE . . . . . 0.772 HG13 ' HB2' ' A' 1909 ' ' ASN . 37.5 mt -56.85 -54.6 27.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 C-N-CA 120.37 -0.532 . . . . 0.0 110.004 -179.762 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1913 ' ' GLY . . . . . . . . . . . . . . . -65.56 -27.89 73.04 Favored Glycine 0 N--CA 1.453 -0.222 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.228 179.656 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1914 ' ' ALA . . . . . . . . . . . . . . . -71.43 -49.57 40.35 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.871 0.367 . . . . 0.0 110.206 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1915 ' ' HIS . . . . . 0.666 ' O ' ' HG2' ' A' 1919 ' ' ARG . 90.0 m-70 -65.92 -39.97 91.03 Favored 'General case' 0 N--CA 1.449 -0.503 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.156 -176.756 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1916 ' ' ILE . . . . . 0.568 HG13 ' O ' ' A' 1912 ' ' ILE . 99.1 mt -54.01 -57.96 4.6 Favored 'Isoleucine or valine' 0 C--O 1.235 0.298 0 CA-C-O 120.744 0.307 . . . . 0.0 111.373 179.837 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1917 ' ' LYS . . . . . . . . . . . . . 52.3 mtmt -67.03 -24.26 65.98 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.033 0.444 . . . . 0.0 111.177 -177.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1918 ' ' HIS . . . . . . . . . . . . . 32.9 t-80 -72.6 -48.68 37.77 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.604 179.38 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1919 ' ' ARG . . . . . 0.836 ' HD2' ' HB3' ' A' 1963 ' ' HIS . 28.4 mmt180 -69.68 -34.46 73.98 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.478 -173.135 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1920 ' ' VAL . . . . . . . . . . . . . 33.1 m -72.74 -24.86 21.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 121.088 0.471 . . . . 0.0 110.684 178.374 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1921 ' ' GLN . . . . . . . . . . . . . 10.1 tt0 -73.17 -34.09 65.82 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-O 121.161 0.505 . . . . 0.0 109.639 177.284 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1922 ' ' GLU . . . . . . . . . . . . . 53.7 mt-10 -61.3 -46.02 92.06 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.039 175.205 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1923 ' ' LEU . . . . . 0.697 ' HG ' ' HB3' ' A' 1960 ' ' LYS . 18.5 mt -64.15 -30.25 71.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.008 177.701 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1924 ' ' GLY . . . . . . . . . . . . . . . -57.2 -38.56 86.86 Favored Glycine 0 N--CA 1.453 -0.202 0 C-N-CA 120.999 -0.62 . . . . 0.0 112.214 178.659 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1925 ' ' HIS . . . . . . . . . . . . . 30.6 m170 -71.27 -54.39 11.06 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.032 0.444 . . . . 0.0 110.204 177.783 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1926 ' ' GLY . . . . . 0.44 ' HA3' HG12 ' A' 1957 ' ' VAL . . . -62.32 -44.84 97.1 Favored Glycine 0 N--CA 1.45 -0.43 0 CA-C-N 115.518 -0.765 . . . . 0.0 113.45 -174.674 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1927 ' ' CYS . . . . . . . . . . . . . 65.9 m -65.0 -41.88 95.0 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.886 0.343 . . . . 0.0 111.223 -176.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1928 ' ' SER . . . . . . . . . . . . . 9.6 t -67.87 -37.34 81.69 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.979 0.419 . . . . 0.0 110.386 -177.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1929 ' ' ALA . . . . . . . . . . . . . . . -72.1 -37.99 69.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.963 0.411 . . . . 0.0 110.619 177.651 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1930 ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -63.81 -49.86 71.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.757 -178.427 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1931 ' ' VAL . . . . . . . . . . . . . 29.6 m -64.79 -27.78 43.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.728 0.299 . . . . 0.0 111.239 -176.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1932 ' ' THR . . . . . . . . . . . . . 46.6 m -68.64 -43.88 75.35 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.866 0.365 . . . . 0.0 110.092 176.747 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1933 ' ' LYS . . . . . . . . . . . . . 43.4 mmtm -69.29 -37.53 77.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.685 176.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1934 ' ' ALA . . . . . . . . . . . . . . . -60.48 -44.1 96.27 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.542 176.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1935 ' ' GLY . . . . . . . . . . . . . . . -68.4 -39.37 87.43 Favored Glycine 0 N--CA 1.449 -0.494 0 C-N-CA 120.909 -0.662 . . . . 0.0 112.207 177.295 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1936 ' ' ALA . . . . . . . . . . . . . . . -64.27 -48.86 74.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.493 0.187 . . . . 0.0 111.233 -179.446 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1937 ' ' LEU . . . . . 0.558 ' HB2' HG22 ' A' 1946 ' ' THR . 49.7 tp -68.37 -26.54 65.63 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.264 0.554 . . . . 0.0 110.101 179.111 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1938 ' ' GLN . . . . . 0.422 ' NE2' ' HA2' ' A' 1883 ' ' GLY . 6.1 tt0 -65.6 -43.85 88.37 Favored 'General case' 0 N--CA 1.445 -0.683 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.338 179.583 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1939 ' ' CYS . . . . . . . . . . . . . 27.8 p -85.33 -17.84 35.6 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.834 -179.772 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1940 ' ' SER . . . . . . . . . . . . . 48.6 m -136.49 87.76 21.17 Favored Pre-proline 0 C--N 1.325 -0.46 0 CA-C-O 120.836 0.35 . . . . 0.0 111.221 -177.028 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1941 ' ' PRO . . . . . . . . . . . . . 85.3 Cg_endo -86.53 0.83 7.85 Favored 'Trans proline' 0 N--CA 1.463 -0.292 0 C-N-CA 122.905 2.403 . . . . 0.0 113.214 -177.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1942 ' ' SER . . . . . . . . . . . . . 33.6 t -92.88 -1.1 57.04 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.084 0.469 . . . . 0.0 110.116 -179.828 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1943 ' ' ASP . . . . . . . . . . . . . 13.8 t70 -106.4 107.84 19.05 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.419 -179.017 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1944 ' ' VAL . . . . . . . . . . . . . 9.9 p -74.96 -24.22 17.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.676 -177.068 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1945 ' ' TYR . . . . . 0.474 ' O ' ' HG3' ' A' 1949 ' ' GLU . 91.5 m-85 -70.34 -41.95 72.53 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.478 -175.877 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1946 ' ' THR . . . . . 0.558 HG22 ' HB2' ' A' 1937 ' ' LEU . 80.7 m -56.71 -42.79 79.79 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.154 173.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1947 ' ' LYS . . . . . 0.509 ' HA ' HD22 ' A' 1937 ' ' LEU . 30.7 ttpt -63.49 -42.67 98.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.168 177.783 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1948 ' ' LYS . . . . . 0.67 ' O ' ' HG2' ' A' 1952 ' ' GLU . 9.6 mmpt? -59.42 -54.61 44.68 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.335 179.415 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1949 ' ' GLU . . . . . 0.474 ' HG3' ' O ' ' A' 1945 ' ' TYR . 37.3 mt-10 -59.43 -36.38 75.79 Favored 'General case' 0 N--CA 1.462 0.167 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.264 -176.012 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1950 ' ' LEU . . . . . . . . . . . . . 9.6 tt -57.02 -52.69 64.28 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.045 177.064 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1951 ' ' ILE . . . . . 0.468 HG12 HG12 ' A' 1872 ' ' VAL . 63.2 mt -68.35 -37.97 78.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.83 -177.77 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1952 ' ' GLU . . . . . 0.67 ' HG2' ' O ' ' A' 1948 ' ' LYS . 26.7 mm-40 -61.6 -30.46 70.7 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-O 121.022 0.439 . . . . 0.0 110.287 178.503 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1953 ' ' CYS . . . . . . . . . . . . . 12.2 t -85.41 -43.4 13.67 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.961 -179.183 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1954 ' ' ALA . . . . . 0.518 ' O ' HG22 ' A' 1957 ' ' VAL . . . -57.06 -39.86 75.73 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.01 -0.541 . . . . 0.0 112.171 -175.473 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1955 ' ' ARG . . . . . 0.469 HH11 ' HD2' ' A' 1955 ' ' ARG . 10.3 ptp85 -64.93 -25.42 67.87 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.879 0.371 . . . . 0.0 111.177 -178.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1956 ' ' ARG . . . . . . . . . . . . . 71.0 mtp180 -77.9 -40.11 40.9 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.739 -176.412 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1957 ' ' VAL . . . . . 0.575 ' O ' HG13 ' A' 1961 ' ' VAL . 12.4 m -67.58 -29.83 46.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 116.488 -0.324 . . . . 0.0 110.876 -175.845 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1958 ' ' SER . . . . . 0.708 ' O ' HG22 ' A' 1961 ' ' VAL . 3.0 m -61.74 -24.29 66.71 Favored 'General case' 0 CA--C 1.53 0.18 0 CA-C-O 121.127 0.489 . . . . 0.0 110.549 177.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1959 ' ' GLU . . . . . . . . . . . . . 60.9 mm-40 -73.32 -38.92 65.63 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.057 0.456 . . . . 0.0 109.912 175.572 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1960 ' ' LYS . . . . . 0.697 ' HB3' ' HG ' ' A' 1923 ' ' LEU . 4.3 mptp? -69.09 -30.1 68.32 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.83 -177.91 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1961 ' ' VAL . . . . . 0.784 HG21 ' HB2' ' A' 1865 ' ' ALA . 1.9 m -66.08 -35.26 74.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 N-CA-C 109.44 -0.578 . . . . 0.0 109.44 176.916 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1962 ' ' SER . . . . . 0.634 ' HA ' HD12 ' A' 1965 ' ' LEU . 45.0 t -73.1 -29.05 62.63 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-N 115.581 -0.736 . . . . 0.0 109.363 175.745 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1963 ' ' HIS . . . . . 0.836 ' HB3' ' HD2' ' A' 1919 ' ' ARG . 50.0 m170 -67.24 -38.19 84.78 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.25 177.301 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1964 ' ' VAL . . . . . 0.514 HG11 HD11 ' A' 1896 ' ' LEU . 88.1 t -62.35 -44.17 98.92 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.317 0 N-CA-C 109.553 -0.536 . . . . 0.0 109.553 173.659 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1965 ' ' LEU . . . . . 0.634 HD12 ' HA ' ' A' 1962 ' ' SER . 70.7 mt -55.93 -46.34 78.52 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.771 178.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1966 ' ' ALA . . . . . . . . . . . . . . . -74.52 -27.72 60.66 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.766 -179.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1967 ' ' ALA . . . . . . . . . . . . . . . -70.16 -40.17 74.88 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.952 0.406 . . . . 0.0 110.822 179.786 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1968 ' ' LEU . . . . . 0.893 ' HB3' ' HG3' ' A' 1854 ' ' GLN . 4.4 mm? -77.64 -38.63 47.47 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.883 179.383 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1969 ' ' GLN . . . . . . . . . . . . . 48.6 mt-30 . . . . . 0 C--O 1.235 0.291 0 CA-C-O 121.292 0.568 . . . . 0.0 110.613 179.113 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A 1850 ' ' PHE . . . . . . . . . . . . . 73.6 t80 . . . . . 0 N--CA 1.455 -0.219 0 CA-C-O 120.969 0.414 . . . . 0.0 110.382 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A 1851 ' ' VAL . . . . . . . . . . . . . 3.5 m -66.15 -27.48 40.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.866 -0.607 . . . . 0.0 111.17 -177.682 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1852 ' ' ASP . . . . . . . . . . . . . 19.4 m-20 -63.24 -56.45 16.52 Favored 'General case' 0 CA--C 1.518 -0.264 0 CA-C-O 121.45 0.643 . . . . 0.0 109.912 179.312 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1853 ' ' TYR . . . . . 0.569 ' O ' ' HG2' ' A' 1857 ' ' MET . 35.4 m-85 -70.44 -35.28 73.27 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.122 -0.945 . . . . 0.0 110.193 -178.236 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1854 ' ' GLN . . . . . 0.852 ' HG3' ' HB3' ' A' 1968 ' ' LEU . 50.6 tt0 -52.83 -53.48 47.98 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.736 176.907 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1855 ' ' THR . . . . . 0.474 ' O ' ' HG2' ' A' 1859 ' ' ARG . 32.8 m -61.23 -42.86 99.35 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.792 -0.64 . . . . 0.0 112.102 -174.4 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1856 ' ' THR . . . . . 0.421 HG23 ' N ' ' A' 1857 ' ' MET . 9.2 t -69.91 -47.05 63.97 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 112.141 0.423 . . . . 0.0 112.141 -173.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1857 ' ' MET . . . . . 0.569 ' HG2' ' O ' ' A' 1853 ' ' TYR . 12.2 ptm -77.06 -23.61 51.98 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 120.783 -0.367 . . . . 0.0 111.843 -172.465 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1858 ' ' VAL . . . . . 0.442 HG13 ' O ' ' A' 1854 ' ' GLN . 25.7 m -72.75 -31.7 37.75 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.11 0 C-N-CA 119.772 -0.771 . . . . 0.0 109.613 173.507 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1859 ' ' ARG . . . . . 0.555 ' HA ' ' HD2' ' A' 1862 ' ' LYS . 23.5 mmm180 -71.74 -38.94 70.38 Favored 'General case' 0 C--N 1.332 -0.168 0 N-CA-C 109.741 -0.466 . . . . 0.0 109.741 174.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1860 ' ' THR . . . . . . . . . . . . . 31.8 m -62.73 -41.42 99.16 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.447 177.298 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1861 ' ' ALA . . . . . 0.405 ' HB1' ' HB ' ' A' 1961 ' ' VAL . . . -59.8 -40.53 88.69 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.922 177.748 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1862 ' ' LYS . . . . . 0.555 ' HD2' ' HA ' ' A' 1859 ' ' ARG . 44.0 mttm -64.86 -39.47 93.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.413 177.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1863 ' ' ALA . . . . . . . . . . . . . . . -64.33 -38.78 92.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.556 177.711 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1864 ' ' ILE . . . . . 0.622 ' O ' HG13 ' A' 1868 ' ' VAL . 79.2 mt -64.78 -48.5 84.24 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.031 174.615 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1865 ' ' ALA . . . . . 0.937 ' HB2' HG21 ' A' 1961 ' ' VAL . . . -56.29 -45.92 80.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.907 -0.588 . . . . 0.0 112.285 -177.853 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1866 ' ' VAL . . . . . . . . . . . . . 13.1 p -67.59 -32.03 55.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 C-N-CA 120.759 -0.376 . . . . 0.0 110.31 -179.411 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1867 ' ' THR . . . . . 0.667 ' O ' ' HG3' ' A' 1871 ' ' MET . 96.0 m -66.12 -50.65 63.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.538 178.232 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1868 ' ' VAL . . . . . 0.622 HG13 ' O ' ' A' 1864 ' ' ILE . 2.1 m -62.1 -30.73 49.37 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.233 0 CA-C-O 121.504 0.669 . . . . 0.0 110.053 -179.492 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1869 ' ' GLN . . . . . . . . . . . . . 9.0 tp-100 -76.08 -27.86 57.34 Favored 'General case' 0 N--CA 1.425 -1.721 0 CA-C-N 115.143 -0.935 . . . . 0.0 110.291 -179.009 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1870 ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -75.84 -40.05 55.53 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.132 172.144 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1871 ' ' MET . . . . . 0.667 ' HG3' ' O ' ' A' 1867 ' ' THR . 60.9 mtp -58.04 -45.62 86.7 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.989 -178.37 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1872 ' ' VAL . . . . . 0.449 HG12 ' HA ' ' A' 1951 ' ' ILE . 28.9 m -69.79 -33.62 56.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.432 179.389 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1873 ' ' THR . . . . . . . . . . . . . 89.4 m -68.37 -51.04 48.66 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.0 0.429 . . . . 0.0 110.384 177.109 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1874 ' ' LYS . . . . . . . . . . . . . 71.0 mmtt -62.34 -34.92 77.58 Favored 'General case' 0 C--O 1.217 -0.628 0 CA-C-N 115.46 -0.791 . . . . 0.0 111.689 -176.589 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1875 ' ' SER . . . . . 0.61 ' HA ' HD11 ' A' 1882 ' ' LEU . 93.2 p -55.58 -20.39 13.34 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 112.702 0.63 . . . . 0.0 112.702 -173.404 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1876 ' ' ASN . . . . . . . . . . . . . 48.1 m-80 -84.9 -24.3 28.53 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 111.522 0.194 . . . . 0.0 111.522 -177.459 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1877 ' ' THR . . . . . . . . . . . . . 50.0 p -120.29 -28.6 5.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.202 0.525 . . . . 0.0 111.818 -177.358 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1878 ' ' SER . . . . . . . . . . . . . 4.7 m -134.84 116.09 12.43 Favored Pre-proline 0 CA--C 1.506 -0.721 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.685 -171.678 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1879 ' ' PRO . . . . . 0.934 ' HA ' HD12 ' A' 1882 ' ' LEU . 6.2 Cg_exo -82.15 -29.21 1.66 Allowed 'Trans proline' 0 N--CA 1.445 -1.35 0 C-N-CA 121.93 1.754 . . . . 0.0 110.286 162.204 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1880 ' ' GLU . . . . . . . . . . . . . 69.0 mm-40 -56.56 -58.09 9.56 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.023 -0.989 . . . . 0.0 112.079 -176.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1881 ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -61.27 -13.91 22.34 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-N 116.155 -0.475 . . . . 0.0 112.261 -177.673 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1882 ' ' LEU . . . . . 0.934 HD12 ' HA ' ' A' 1879 ' ' PRO . 9.6 mt -72.7 -22.81 60.84 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 112.083 0.401 . . . . 0.0 112.083 -175.852 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1883 ' ' GLY . . . . . . . . . . . . . . . -66.14 -60.74 6.09 Favored Glycine 0 CA--C 1.517 0.197 0 C-N-CA 120.704 -0.76 . . . . 0.0 111.998 178.69 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1884 ' ' PRO . . . . . . . . . . . . . 11.3 Cg_endo -57.13 -37.37 98.36 Favored 'Trans proline' 0 C--N 1.346 0.417 0 C-N-CA 122.503 2.135 . . . . 0.0 112.428 175.507 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1885 ' ' LEU . . . . . 0.656 ' HB3' ' HG2' ' A' 1871 ' ' MET . 38.4 mt -61.51 -41.4 97.25 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-O 120.556 0.217 . . . . 0.0 111.38 179.494 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1886 ' ' ALA . . . . . . . . . . . . . . . -63.72 -45.81 88.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.977 0.418 . . . . 0.0 110.626 178.029 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1887 ' ' ASN . . . . . . . . . . . . . 57.8 t30 -63.94 -38.0 89.48 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.086 177.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1888 ' ' GLN . . . . . . . . . . . . . 31.6 tp60 -62.26 -50.65 70.87 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.343 -0.844 . . . . 0.0 111.059 -179.314 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1889 ' ' LEU . . . . . 0.589 HD22 ' SG ' ' A' 1927 ' ' CYS . 1.3 tt -57.65 -43.33 84.84 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 178.526 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1890 ' ' THR . . . . . . . . . . . . . 87.1 m -60.92 -45.03 96.27 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.277 -0.874 . . . . 0.0 111.904 -178.237 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1891 ' ' SER . . . . . . . . . . . . . 63.0 m -68.3 -44.2 75.97 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 111.945 0.35 . . . . 0.0 111.945 -177.05 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1892 ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -67.22 -29.33 68.95 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.993 -0.283 . . . . 0.0 111.287 -178.692 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1893 ' ' TYR . . . . . . . . . . . . . 50.1 t80 -61.39 -37.71 84.41 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 120.919 -0.312 . . . . 0.0 110.428 174.657 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1894 ' ' GLY . . . . . . . . . . . . . . . -60.23 -37.61 93.25 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.897 -0.668 . . . . 0.0 111.684 178.522 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1895 ' ' ARG . . . . . 0.474 ' O ' ' HG2' ' A' 1899 ' ' GLN . 73.3 ttt180 -66.26 -46.67 76.28 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.018 0.437 . . . . 0.0 110.179 176.23 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1896 ' ' LEU . . . . . 0.5 HD12 ' HB2' ' A' 1857 ' ' MET . 49.9 tp -57.08 -48.83 77.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.469 -0.787 . . . . 0.0 111.283 179.401 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1897 ' ' ALA . . . . . . . . . . . . . . . -63.96 -24.24 67.65 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.607 -178.059 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1898 ' ' SER . . . . . . . . . . . . . 44.9 t -80.44 -19.91 45.03 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.021 0.438 . . . . 0.0 110.099 -177.249 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1899 ' ' GLN . . . . . 0.474 ' HG2' ' O ' ' A' 1895 ' ' ARG . 62.6 mm-40 -89.15 -24.16 22.27 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.85 -0.614 . . . . 0.0 109.835 178.92 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1900 ' ' ALA . . . . . . . . . . . . . . . -65.24 -36.32 83.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.648 -178.524 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1901 ' ' LYS . . . . . 0.651 ' HB3' ' HD3' ' A' 1902 ' ' PRO . 0.4 OUTLIER -62.4 -58.24 18.33 Favored Pre-proline 0 CA--C 1.541 0.613 0 CA-C-N 116.416 -0.357 . . . . 0.0 111.702 -179.297 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A 1902 ' ' PRO . . . . . 0.651 ' HD3' ' HB3' ' A' 1901 ' ' LYS . 7.9 Cg_exo -72.34 -26.08 17.74 Favored 'Trans proline' 0 C--N 1.352 0.739 0 C-N-CA 121.778 1.652 . . . . 0.0 112.522 -176.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1903 ' ' ALA . . . . . . . . . . . . . . . -68.47 -31.23 70.36 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.978 0.418 . . . . 0.0 110.658 178.719 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1904 ' ' ALA . . . . . . . . . . . . . . . -71.35 -30.06 65.72 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.451 -177.708 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1905 ' ' VAL . . . . . . . . . . . . . 28.8 m -96.42 -13.06 8.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.828 178.548 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1906 ' ' ALA . . . . . . . . . . . . . . . -78.18 -37.5 45.61 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.092 176.552 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1907 ' ' ALA . . . . . . . . . . . . . . . -71.82 146.72 47.82 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.113 175.726 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1908 ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -97.71 -12.75 21.98 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 120.931 0.396 . . . . 0.0 110.275 -179.644 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1909 ' ' ASN . . . . . . . . . . . . . 46.4 t-20 -96.52 136.08 37.53 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.048 -0.524 . . . . 0.0 109.931 177.573 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1910 ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -55.37 -53.16 59.63 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.607 -0.724 . . . . 0.0 111.162 178.413 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1911 ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -60.04 -44.2 94.83 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.858 -172.779 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1912 ' ' ILE . . . . . 0.531 ' O ' HG13 ' A' 1916 ' ' ILE . 59.1 mt -57.19 -53.76 39.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-O 120.713 0.292 . . . . 0.0 110.541 -177.375 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1913 ' ' GLY . . . . . 0.542 ' HA2' HD12 ' A' 1916 ' ' ILE . . . -69.31 -24.89 75.88 Favored Glycine 0 N--CA 1.449 -0.498 0 C-N-CA 120.854 -0.689 . . . . 0.0 112.325 -179.272 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1914 ' ' ALA . . . . . . . . . . . . . . . -73.4 -50.07 23.74 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.706 0.289 . . . . 0.0 110.354 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1915 ' ' HIS . . . . . 0.543 ' O ' ' HG2' ' A' 1919 ' ' ARG . 84.3 m-70 -57.67 -40.68 79.92 Favored 'General case' 0 CA--C 1.516 -0.344 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.907 -178.72 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1916 ' ' ILE . . . . . 0.542 HD12 ' HA2' ' A' 1913 ' ' GLY . 99.7 mt -50.75 -52.03 18.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.799 177.5 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1917 ' ' LYS . . . . . . . . . . . . . 36.3 mtmm -71.43 -28.4 63.96 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.333 -176.663 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1918 ' ' HIS . . . . . . . . . . . . . 71.0 m-70 -74.54 -33.88 62.85 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.857 0.36 . . . . 0.0 111.169 178.813 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1919 ' ' ARG . . . . . 0.55 ' CD ' ' HB3' ' A' 1963 ' ' HIS . 28.2 mmt180 -80.92 -33.07 34.4 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.715 -175.145 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1920 ' ' VAL . . . . . . . . . . . . . 34.1 m -70.73 -27.47 30.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-O 121.253 0.549 . . . . 0.0 109.526 173.733 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1921 ' ' GLN . . . . . . . . . . . . . 29.9 tt0 -64.52 -40.98 96.64 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-N 115.437 -0.801 . . . . 0.0 110.079 176.077 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1922 ' ' GLU . . . . . 1.061 ' HB3' ' HD3' ' A' 1960 ' ' LYS . 30.3 mt-10 -58.18 -50.75 72.44 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.48 174.801 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1923 ' ' LEU . . . . . . . . . . . . . 40.8 mt -64.4 -32.37 73.96 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.603 -0.726 . . . . 0.0 111.64 -177.645 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1924 ' ' GLY . . . . . . . . . . . . . . . -59.73 -52.77 51.02 Favored Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 120.575 -0.822 . . . . 0.0 112.09 176.612 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1925 ' ' HIS . . . . . . . . . . . . . 39.8 m80 -68.43 -40.32 81.22 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.806 0.336 . . . . 0.0 110.635 -179.466 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1926 ' ' GLY . . . . . 0.41 ' HA3' HG12 ' A' 1957 ' ' VAL . . . -64.96 -40.67 97.33 Favored Glycine 0 N--CA 1.449 -0.446 0 C-N-CA 120.909 -0.663 . . . . 0.0 112.34 179.14 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1927 ' ' CYS . . . . . 0.589 ' SG ' HD22 ' A' 1889 ' ' LEU . 40.8 t -64.06 -47.17 81.21 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 110.377 -0.231 . . . . 0.0 110.377 178.679 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1928 ' ' SER . . . . . . . . . . . . . 12.6 t -59.28 -36.08 74.89 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.638 -178.638 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1929 ' ' ALA . . . . . . . . . . . . . . . -72.15 -46.58 55.91 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.849 0.357 . . . . 0.0 110.783 176.746 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1930 ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.94 -47.43 84.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.155 -176.833 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1931 ' ' VAL . . . . . . . . . . . . . 30.2 m -64.82 -27.79 43.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.701 0.286 . . . . 0.0 111.255 -177.116 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1932 ' ' THR . . . . . . . . . . . . . 55.6 m -72.59 -40.92 66.19 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.9 0.381 . . . . 0.0 110.083 176.08 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1933 ' ' LYS . . . . . . . . . . . . . 74.4 mmtt -68.82 -37.91 79.52 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.834 178.509 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1934 ' ' ALA . . . . . . . . . . . . . . . -60.6 -48.17 82.98 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.5 177.195 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1935 ' ' GLY . . . . . . . . . . . . . . . -65.35 -39.15 95.7 Favored Glycine 0 N--CA 1.449 -0.475 0 C-N-CA 120.895 -0.669 . . . . 0.0 111.765 177.483 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1936 ' ' ALA . . . . . . . . . . . . . . . -62.09 -44.43 96.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.483 0.183 . . . . 0.0 111.226 179.364 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1937 ' ' LEU . . . . . 0.403 ' CD2' ' HB2' ' A' 1875 ' ' SER . 35.0 tp -68.35 -32.18 72.09 Favored 'General case' 0 CA--C 1.513 -0.465 0 CA-C-O 120.943 0.401 . . . . 0.0 110.523 179.519 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1938 ' ' GLN . . . . . . . . . . . . . 36.1 tt0 -68.06 -26.61 65.93 Favored 'General case' 0 N--CA 1.446 -0.662 0 CA-C-O 121.2 0.524 . . . . 0.0 110.273 179.483 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1939 ' ' CYS . . . . . . . . . . . . . 62.2 m -83.38 -32.71 26.04 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.685 176.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1940 ' ' SER . . . . . . . . . . . . . 22.0 m -124.63 75.73 63.83 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.706 178.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1941 ' ' PRO . . . . . . . . . . . . . 26.9 Cg_exo -63.93 -24.65 67.41 Favored 'Trans proline' 0 C--N 1.345 0.345 0 C-N-CA 122.929 2.419 . . . . 0.0 113.438 -175.507 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1942 ' ' SER . . . . . . . . . . . . . 17.4 m -89.34 0.81 56.54 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.792 0.33 . . . . 0.0 111.483 -178.046 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1943 ' ' ASP . . . . . . . . . . . . . 19.4 t70 -93.71 110.4 22.03 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.919 0.39 . . . . 0.0 110.531 -178.079 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1944 ' ' VAL . . . . . . . . . . . . . 7.8 p -75.18 -28.01 20.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.845 -177.564 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1945 ' ' TYR . . . . . . . . . . . . . 77.0 m-85 -61.3 -47.74 84.57 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.297 -177.735 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1946 ' ' THR . . . . . . . . . . . . . 50.9 m -61.2 -40.13 92.8 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.396 -0.82 . . . . 0.0 110.925 177.346 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1947 ' ' LYS . . . . . . . . . . . . . 29.7 ttpt -66.16 -40.7 90.73 Favored 'General case' 0 N--CA 1.453 -0.283 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.195 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1948 ' ' LYS . . . . . 0.579 ' HE2' ' HA ' ' A' 1948 ' ' LYS . 9.4 mmpt? -57.48 -46.14 84.03 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.409 179.292 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1949 ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -62.31 -34.85 77.41 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.955 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1950 ' ' LEU . . . . . . . . . . . . . 6.4 tt -61.54 -49.42 76.74 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.623 -0.51 . . . . 0.0 109.623 178.387 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1951 ' ' ILE . . . . . 0.449 ' HA ' HG12 ' A' 1872 ' ' VAL . 1.8 mp -63.88 -44.13 97.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.47 177.649 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1952 ' ' GLU . . . . . 0.617 ' O ' ' HG3' ' A' 1956 ' ' ARG . 46.6 mt-10 -64.42 -30.57 71.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.411 -178.783 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1953 ' ' CYS . . . . . . . . . . . . . 33.5 t -81.32 -37.8 27.78 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.719 0.295 . . . . 0.0 110.897 179.759 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1954 ' ' ALA . . . . . . . . . . . . . . . -66.27 -36.46 83.03 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.837 0.351 . . . . 0.0 111.4 -178.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1955 ' ' ARG . . . . . 0.416 ' HG2' ' O ' ' A' 1952 ' ' GLU . 35.7 ptt180 -67.0 -25.15 66.16 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.795 0.331 . . . . 0.0 110.141 177.735 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1956 ' ' ARG . . . . . 0.617 ' HG3' ' O ' ' A' 1952 ' ' GLU . 89.2 mtt180 -74.82 -41.27 60.25 Favored 'General case' 0 C--O 1.219 -0.548 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.416 178.301 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1957 ' ' VAL . . . . . 0.556 ' O ' HG13 ' A' 1961 ' ' VAL . 11.9 m -80.83 -27.3 11.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 C-N-CA 120.674 -0.41 . . . . 0.0 111.545 -176.064 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1958 ' ' SER . . . . . 0.554 ' O ' HG22 ' A' 1961 ' ' VAL . 32.9 p -69.16 -24.02 64.02 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.622 0.248 . . . . 0.0 111.456 -176.446 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1959 ' ' GLU . . . . . 0.441 ' HG3' ' O ' ' A' 1956 ' ' ARG . 0.7 OUTLIER -80.39 -27.07 38.23 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 121.028 0.442 . . . . 0.0 110.254 170.921 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A 1960 ' ' LYS . . . . . 1.061 ' HD3' ' HB3' ' A' 1922 ' ' GLU . 52.7 mttm -76.84 -29.03 55.71 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.735 -176.533 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1961 ' ' VAL . . . . . 0.937 HG21 ' HB2' ' A' 1865 ' ' ALA . 3.2 m -66.14 -33.22 62.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 N-CA-C 108.714 -0.847 . . . . 0.0 108.714 171.848 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1962 ' ' SER . . . . . 0.681 ' HA ' HD12 ' A' 1965 ' ' LEU . 14.5 m -72.59 -25.67 61.41 Favored 'General case' 0 N--CA 1.45 -0.474 0 CA-C-N 115.204 -0.907 . . . . 0.0 109.877 176.434 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1963 ' ' HIS . . . . . 0.55 ' HB3' ' CD ' ' A' 1919 ' ' ARG . 65.6 m170 -72.77 -31.15 64.68 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.724 -0.671 . . . . 0.0 109.99 177.472 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1964 ' ' VAL . . . . . 0.423 ' O ' HD23 ' A' 1968 ' ' LEU . 91.7 t -65.76 -45.56 91.41 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.177 0 N-CA-C 108.745 -0.835 . . . . 0.0 108.745 172.06 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1965 ' ' LEU . . . . . 0.681 HD12 ' HA ' ' A' 1962 ' ' SER . 59.5 mt -54.51 -46.18 73.46 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.251 -0.886 . . . . 0.0 110.451 176.73 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1966 ' ' ALA . . . . . . . . . . . . . . . -69.36 -41.47 76.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.911 -179.589 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1967 ' ' ALA . . . . . . . . . . . . . . . -61.44 -44.95 96.22 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.894 0.378 . . . . 0.0 111.34 -179.776 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1968 ' ' LEU . . . . . 0.852 ' HB3' ' HG3' ' A' 1854 ' ' GLN . 4.3 mm? -72.41 -31.94 65.93 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.05 0.452 . . . . 0.0 110.847 179.761 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1969 ' ' GLN . . . . . . . . . . . . . 47.5 mt-30 . . . . . 0 C--N 1.325 -0.459 0 CA-C-O 120.88 0.372 . . . . 0.0 110.982 178.862 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A 1837 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.779 0 N-CA-C 111.729 -0.548 . . . . 0.0 111.729 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A 1838 ' ' ILE . . . . . . . . . . . . . 3.7 mp 62.03 92.98 0.04 OUTLIER 'Isoleucine or valine' 0 C--O 1.235 0.326 0 CA-C-O 121.768 0.794 . . . . 0.0 110.68 -176.024 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1839 ' ' ASP . . . . . . . . . . . . . 4.0 p30 -127.58 158.09 71.05 Favored Pre-proline 0 C--N 1.317 -0.835 0 N-CA-C 108.409 -0.96 . . . . 0.0 108.409 175.308 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1840 ' ' PRO . . . . . . . . . . . . . 16.5 Cg_exo -67.47 0.16 4.41 Favored 'Trans proline' 0 CA--C 1.53 0.283 0 C-N-CA 122.567 2.178 . . . . 0.0 113.367 -173.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1841 ' ' PHE . . . . . . . . . . . . . 82.9 m-85 -100.05 -45.07 5.79 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.936 -0.394 . . . . 0.0 109.936 177.561 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1842 ' ' THR . . . . . . . . . . . . . 23.6 p -73.28 -38.73 65.82 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-O 121.088 0.47 . . . . 0.0 110.676 175.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1843 ' ' MET . . . . . . . . . . . . . 50.4 ttm -143.31 93.56 2.5 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.882 -0.599 . . . . 0.0 109.496 176.112 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1844 ' ' GLY . . . . . . . . . . . . . . . -103.34 157.07 17.8 Favored Glycine 0 N--CA 1.446 -0.662 0 C-N-CA 120.647 -0.787 . . . . 0.0 112.615 -176.235 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1845 ' ' ASP . . . . . . . . . . . . . 18.1 m-20 -96.91 158.26 33.73 Favored Pre-proline 0 C--N 1.322 -0.627 0 N-CA-C 109.653 -0.499 . . . . 0.0 109.653 178.655 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1846 ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -56.1 -56.92 1.75 Allowed 'Trans proline' 0 C--O 1.234 0.306 0 C-N-CA 122.547 2.164 . . . . 0.0 111.789 176.581 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1847 ' ' GLU . . . . . 0.62 ' HB3' ' HG2' ' A' 1908 ' ' GLU . 0.0 OUTLIER -73.62 -5.1 38.29 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.096 0.474 . . . . 0.0 110.951 179.243 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A 1848 ' ' GLY . . . . . . . . . . . . . . . -72.62 -14.32 77.78 Favored Glycine 0 N--CA 1.448 -0.547 0 CA-C-N 115.774 -0.648 . . . . 0.0 112.81 -178.535 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1849 ' ' SER . . . . . . . . . . . . . 24.5 t -94.51 -26.29 16.5 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.334 0.588 . . . . 0.0 109.586 175.684 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1850 ' ' PHE . . . . . . . . . . . . . 83.7 t80 -65.37 -21.87 66.73 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.452 -0.795 . . . . 0.0 110.79 -178.634 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1851 ' ' VAL . . . . . . . . . . . . . 23.7 m -57.3 -33.47 43.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.67 -178.609 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1852 ' ' ASP . . . . . . . . . . . . . 27.8 t70 -77.96 -46.57 20.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.539 -0.3 . . . . 0.0 110.488 -179.079 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1853 ' ' TYR . . . . . 0.496 ' CE1' ' HB2' ' A' 1902 ' ' PRO . 68.5 m-85 -64.24 -37.16 86.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.428 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1854 ' ' GLN . . . . . 0.977 ' HG3' ' HB3' ' A' 1968 ' ' LEU . 28.7 tt0 -59.81 -61.08 2.88 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.074 174.775 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1855 ' ' THR . . . . . 0.698 ' O ' ' HG2' ' A' 1859 ' ' ARG . 84.8 m -59.61 -39.05 82.97 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.498 -0.773 . . . . 0.0 111.919 -174.811 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1856 ' ' THR . . . . . 0.489 HG22 ' O ' ' A' 1853 ' ' TYR . 10.8 t -63.5 -47.35 82.06 Favored 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 120.983 -0.287 . . . . 0.0 111.558 -175.397 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1857 ' ' MET . . . . . 0.555 ' HB2' HD12 ' A' 1896 ' ' LEU . 21.1 ptm -82.35 -23.34 35.11 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 121.216 -0.194 . . . . 0.0 111.081 -173.189 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1858 ' ' VAL . . . . . 0.666 ' O ' ' HG3' ' A' 1862 ' ' LYS . 18.5 m -69.87 -32.68 52.67 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.21 0 C-N-CA 119.772 -0.771 . . . . 0.0 109.867 174.164 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1859 ' ' ARG . . . . . 0.698 ' HG2' ' O ' ' A' 1855 ' ' THR . 11.8 mmm180 -60.72 -44.41 96.65 Favored 'General case' 0 CA--C 1.519 -0.228 0 N-CA-C 109.476 -0.564 . . . . 0.0 109.476 175.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1860 ' ' THR . . . . . . . . . . . . . 57.8 m -65.82 -40.95 92.33 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.396 -0.82 . . . . 0.0 110.961 177.379 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1861 ' ' ALA . . . . . 0.427 ' HB1' ' HB ' ' A' 1961 ' ' VAL . . . -61.25 -41.62 97.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.864 0.364 . . . . 0.0 110.891 177.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1862 ' ' LYS . . . . . 0.666 ' HG3' ' O ' ' A' 1858 ' ' VAL . 78.9 mttt -68.02 -35.79 78.88 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.04 177.284 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1863 ' ' ALA . . . . . . . . . . . . . . . -64.57 -42.63 95.51 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.297 177.57 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1864 ' ' ILE . . . . . 0.604 ' O ' HG13 ' A' 1868 ' ' VAL . 76.3 mt -61.5 -45.88 97.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.198 174.676 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1865 ' ' ALA . . . . . 0.773 ' HB2' HG21 ' A' 1961 ' ' VAL . . . -58.82 -36.15 74.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.041 -0.527 . . . . 0.0 112.094 -178.22 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1866 ' ' VAL . . . . . 0.403 ' HA ' ' HB3' ' A' 1869 ' ' GLN . 12.9 p -81.27 -29.2 10.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 C-N-CA 120.327 -0.549 . . . . 0.0 110.7 179.212 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1867 ' ' THR . . . . . 0.471 ' O ' ' HG3' ' A' 1871 ' ' MET . 74.9 m -65.09 -46.69 80.06 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.812 0.339 . . . . 0.0 110.729 175.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1868 ' ' VAL . . . . . 0.604 HG13 ' O ' ' A' 1864 ' ' ILE . 4.0 m -66.58 -28.67 44.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 121.847 0.832 . . . . 0.0 110.008 178.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1869 ' ' GLN . . . . . 0.403 ' HB3' ' HA ' ' A' 1866 ' ' VAL . 1.8 tp-100 -75.94 -28.62 58.03 Favored 'General case' 0 N--CA 1.433 -1.278 0 CA-C-N 114.622 -1.172 . . . . 0.0 109.963 179.51 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1870 ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -74.3 -36.12 63.72 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.146 171.049 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1871 ' ' MET . . . . . 0.473 ' HB3' HD21 ' A' 1950 ' ' LEU . 9.7 mtt -55.28 -45.48 76.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.363 -179.586 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1872 ' ' VAL . . . . . 0.432 HG12 ' HA ' ' A' 1951 ' ' ILE . 28.8 m -72.97 -29.11 28.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.78 0.324 . . . . 0.0 111.466 179.809 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1873 ' ' THR . . . . . . . . . . . . . 90.1 m -75.62 -48.48 22.01 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.016 0.436 . . . . 0.0 110.694 179.479 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1874 ' ' LYS . . . . . 0.415 ' HG3' HD11 ' A' 1885 ' ' LEU . 68.8 mmtt -62.64 -41.48 99.06 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.901 -0.59 . . . . 0.0 111.627 -178.792 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1875 ' ' SER . . . . . 0.453 ' HB3' HD11 ' A' 1882 ' ' LEU . 6.1 p -60.96 -6.64 1.94 Allowed 'General case' 0 N--CA 1.465 0.285 0 N-CA-C 113.219 0.822 . . . . 0.0 113.219 -171.91 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1876 ' ' ASN . . . . . . . . . . . . . 56.6 m-80 -69.64 -48.15 60.92 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.725 0.297 . . . . 0.0 110.598 174.57 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1877 ' ' THR . . . . . . . . . . . . . 75.7 p -124.98 -12.13 7.03 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.917 0.389 . . . . 0.0 111.898 -175.366 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1878 ' ' SER . . . . . . . . . . . . . 50.2 m -131.8 99.34 16.88 Favored Pre-proline 0 C--N 1.319 -0.74 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.825 -171.064 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1879 ' ' PRO . . . . . 0.927 ' HA ' HD12 ' A' 1882 ' ' LEU . 28.1 Cg_endo -94.56 -8.19 1.77 Allowed 'Trans proline' 0 N--CA 1.444 -1.393 0 C-N-CA 121.949 1.766 . . . . 0.0 112.631 174.834 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1880 ' ' GLU . . . . . 0.42 ' CD ' ' H ' ' A' 1880 ' ' GLU . 0.0 OUTLIER -92.19 -30.25 16.03 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.924 0.392 . . . . 0.0 109.947 178.428 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A 1881 ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -60.62 -17.65 48.34 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-O 121.448 0.642 . . . . 0.0 110.435 173.506 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1882 ' ' LEU . . . . . 0.927 HD12 ' HA ' ' A' 1879 ' ' PRO . 2.9 mt -78.84 -11.96 60.01 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.297 -0.865 . . . . 0.0 111.532 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1883 ' ' GLY . . . . . . . . . . . . . . . -65.49 -60.9 6.13 Favored Glycine 0 N--CA 1.449 -0.45 0 C-N-CA 120.753 -0.737 . . . . 0.0 111.796 175.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1884 ' ' PRO . . . . . . . . . . . . . 13.6 Cg_endo -59.14 -34.74 98.66 Favored 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 122.569 2.179 . . . . 0.0 112.364 174.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1885 ' ' LEU . . . . . 0.415 HD11 ' HG3' ' A' 1874 ' ' LYS . 59.2 mt -65.29 -41.16 94.43 Favored 'General case' 0 C--N 1.331 -0.196 0 N-CA-C 111.603 0.223 . . . . 0.0 111.603 -179.491 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1886 ' ' ALA . . . . . . . . . . . . . . . -65.27 -42.06 93.59 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.776 0.322 . . . . 0.0 110.34 178.449 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1887 ' ' ASN . . . . . . . . . . . . . 24.8 t30 -63.53 -41.7 98.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.331 0.586 . . . . 0.0 109.941 175.379 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1888 ' ' GLN . . . . . . . . . . . . . 46.1 tp60 -57.99 -51.91 67.7 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.102 -0.953 . . . . 0.0 111.175 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1889 ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -59.47 -45.76 90.71 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.011 -0.54 . . . . 0.0 109.585 178.814 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1890 ' ' THR . . . . . . . . . . . . . 90.5 m -58.48 -42.93 88.64 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.529 -0.76 . . . . 0.0 111.467 179.827 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1891 ' ' SER . . . . . . . . . . . . . 35.5 t -66.75 -54.28 24.5 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.971 -0.558 . . . . 0.0 111.31 -176.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1892 ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -70.1 -30.0 67.1 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 111.956 0.354 . . . . 0.0 111.956 -174.37 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1893 ' ' TYR . . . . . . . . . . . . . 5.8 t80 -56.48 -42.12 77.73 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.879 -0.328 . . . . 0.0 110.278 174.126 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1894 ' ' GLY . . . . . . . . . . . . . . . -59.24 -37.35 91.7 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.995 -0.622 . . . . 0.0 112.104 179.241 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1895 ' ' ARG . . . . . . . . . . . . . 78.9 ttt180 -70.31 -47.18 62.29 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.875 0.369 . . . . 0.0 110.448 178.707 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1896 ' ' LEU . . . . . 0.555 HD12 ' HB2' ' A' 1857 ' ' MET . 47.6 tp -57.07 -50.51 72.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.773 -0.648 . . . . 0.0 110.902 178.696 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1897 ' ' ALA . . . . . . . . . . . . . . . -65.11 -23.92 67.28 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.282 -179.806 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1898 ' ' SER . . . . . . . . . . . . . 9.2 t -79.76 -40.77 28.01 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.884 -0.413 . . . . 0.0 109.884 -176.81 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1899 ' ' GLN . . . . . . . . . . . . . 12.7 mm100 -72.91 -8.79 57.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.753 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1900 ' ' ALA . . . . . . . . . . . . . . . -68.16 -21.62 64.89 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.677 175.068 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1901 ' ' LYS . . . . . 0.523 ' HB3' ' HD3' ' A' 1902 ' ' PRO . 54.2 tptt -75.7 -58.62 1.35 Allowed Pre-proline 0 CA--C 1.541 0.598 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.589 179.389 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1902 ' ' PRO . . . . . 0.523 ' HD3' ' HB3' ' A' 1901 ' ' LYS . 56.8 Cg_endo -70.88 -18.33 31.82 Favored 'Trans proline' 0 C--N 1.355 0.912 0 C-N-CA 121.948 1.766 . . . . 0.0 112.913 -178.148 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1903 ' ' ALA . . . . . . . . . . . . . . . -79.52 -34.4 41.2 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.92 0.39 . . . . 0.0 110.811 178.299 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1904 ' ' ALA . . . . . . . . . . . . . . . -70.1 -35.02 73.86 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.191 0.519 . . . . 0.0 110.441 -176.678 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1905 ' ' VAL . . . . . . . . . . . . . 27.5 m -86.98 -0.3 7.0 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 115.498 -0.774 . . . . 0.0 111.028 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1906 ' ' ALA . . . . . . . . . . . . . . . -106.64 -28.39 10.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.658 177.746 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1907 ' ' ALA . . . . . . . . . . . . . . . -67.99 121.36 15.92 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.567 178.613 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1908 ' ' GLU . . . . . 0.62 ' HG2' ' HB3' ' A' 1847 ' ' GLU . 7.1 pt-20 -73.89 -21.76 59.97 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.449 -178.648 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1909 ' ' ASN . . . . . . . . . . . . . 24.4 t-20 -95.16 134.8 37.49 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.488 -178.796 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1910 ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -56.04 -53.8 52.58 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.583 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1911 ' ' GLU . . . . . . . . . . . . . 25.6 mt-10 -64.42 -43.28 94.85 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.515 -173.751 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1912 ' ' ILE . . . . . 0.681 ' O ' HG13 ' A' 1916 ' ' ILE . 69.7 mt -55.45 -53.2 38.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 N-CA-C 110.101 -0.333 . . . . 0.0 110.101 177.004 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1913 ' ' GLY . . . . . 0.452 ' HA2' HD12 ' A' 1916 ' ' ILE . . . -63.89 -34.47 90.02 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 121.072 -0.585 . . . . 0.0 112.721 -178.775 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1914 ' ' ALA . . . . . . . . . . . . . . . -72.69 -47.48 46.89 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 122.737 -0.272 . . . . 0.0 110.754 -178.587 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1915 ' ' HIS . . . . . 0.478 ' O ' ' HG2' ' A' 1919 ' ' ARG . 64.2 m-70 -59.26 -33.2 70.75 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.352 -0.386 . . . . 0.0 111.261 -177.74 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1916 ' ' ILE . . . . . 0.681 HG13 ' O ' ' A' 1912 ' ' ILE . 85.4 mt -51.07 -55.7 6.73 Favored 'Isoleucine or valine' 0 C--O 1.233 0.185 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.018 177.8 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1917 ' ' LYS . . . . . 0.41 ' HB2' ' HE2' ' A' 1917 ' ' LYS . 3.8 mppt? -69.4 -34.58 74.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.173 -178.118 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1918 ' ' HIS . . . . . 0.429 ' O ' ' HB3' ' A' 1921 ' ' GLN . 61.4 m-70 -64.91 -43.93 91.22 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 121.096 -0.242 . . . . 0.0 111.531 -178.194 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1919 ' ' ARG . . . . . 0.478 ' HG2' ' O ' ' A' 1915 ' ' HIS . 30.8 mmt180 -70.27 -38.85 75.18 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 120.818 -0.353 . . . . 0.0 111.342 -175.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1920 ' ' VAL . . . . . . . . . . . . . 14.5 m -73.36 -25.25 21.08 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.226 0 CA-C-O 121.197 0.523 . . . . 0.0 110.099 177.83 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1921 ' ' GLN . . . . . 0.429 ' HB3' ' O ' ' A' 1918 ' ' HIS . 33.6 tt0 -64.24 -48.72 74.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.718 -0.673 . . . . 0.0 109.596 173.546 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1922 ' ' GLU . . . . . 0.589 ' CB ' ' HD3' ' A' 1960 ' ' LYS . 47.4 mt-10 -61.87 -46.98 87.07 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.34 -0.845 . . . . 0.0 110.3 176.018 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1923 ' ' LEU . . . . . 0.556 ' HG ' ' HG2' ' A' 1960 ' ' LYS . 18.0 mt -57.74 -36.78 72.53 Favored 'General case' 0 C--O 1.225 -0.203 0 CA-C-N 115.701 -0.682 . . . . 0.0 111.584 -179.395 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1924 ' ' GLY . . . . . . . . . . . . . . . -54.62 -35.67 57.62 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.234 177.766 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1925 ' ' HIS . . . . . . . . . . . . . 21.6 m170 -79.18 -46.54 17.72 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.883 0.373 . . . . 0.0 110.379 178.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1926 ' ' GLY . . . . . . . . . . . . . . . -67.5 -45.27 79.26 Favored Glycine 0 CA--C 1.518 0.26 0 CA-C-N 115.743 -0.662 . . . . 0.0 113.281 -176.276 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1927 ' ' CYS . . . . . . . . . . . . . 83.8 m -63.99 -39.9 95.18 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.733 0.267 . . . . 0.0 110.715 -179.563 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1928 ' ' SER . . . . . . . . . . . . . 47.9 t -64.61 -38.96 92.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.891 0.377 . . . . 0.0 110.166 178.017 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1929 ' ' ALA . . . . . . . . . . . . . . . -64.19 -44.4 92.11 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.435 177.408 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1930 ' ' LEU . . . . . 0.553 ' CD2' ' HG ' ' A' 1950 ' ' LEU . 0.4 OUTLIER -61.08 -54.09 48.97 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.62 -178.99 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A 1931 ' ' VAL . . . . . . . . . . . . . 33.6 m -62.22 -27.65 42.99 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.172 0 N-CA-C 111.586 0.217 . . . . 0.0 111.586 -176.115 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1932 ' ' THR . . . . . . . . . . . . . 81.8 m -68.04 -45.96 72.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.91 0.386 . . . . 0.0 110.159 176.238 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1933 ' ' LYS . . . . . . . . . . . . . 30.8 mmtp -69.97 -34.88 73.95 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.367 179.825 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1934 ' ' ALA . . . . . . . . . . . . . . . -61.84 -43.01 99.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.446 175.401 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1935 ' ' GLY . . . . . . . . . . . . . . . -70.2 -28.48 71.45 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 121.101 -0.571 . . . . 0.0 112.252 178.663 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1936 ' ' ALA . . . . . . . . . . . . . . . -73.36 -44.57 58.41 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.648 0.261 . . . . 0.0 110.806 179.784 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1937 ' ' LEU . . . . . 0.414 ' HB2' HG22 ' A' 1946 ' ' THR . 20.9 tp -68.59 -29.28 67.77 Favored 'General case' 0 CA--C 1.514 -0.412 0 CA-C-O 121.602 0.715 . . . . 0.0 109.416 177.173 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1938 ' ' GLN . . . . . . . . . . . . . 8.0 tt0 -61.13 -29.05 69.54 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 114.626 -1.17 . . . . 0.0 109.996 176.409 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1939 ' ' CYS . . . . . . . . . . . . . 58.6 m -86.42 -45.91 10.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.679 176.283 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1940 ' ' SER . . . . . . . . . . . . . 75.0 m -123.89 90.66 50.46 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.508 -0.315 . . . . 0.0 111.629 -178.752 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1941 ' ' PRO . . . . . 0.52 ' HB3' ' HG3' ' A' 1879 ' ' PRO . 59.4 Cg_endo -74.61 -14.3 22.16 Favored 'Trans proline' 0 C--N 1.342 0.229 0 C-N-CA 122.52 2.147 . . . . 0.0 112.695 179.39 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1942 ' ' SER . . . . . . . . . . . . . 22.6 t -81.78 -12.19 58.66 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.725 -178.194 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1943 ' ' ASP . . . . . . . . . . . . . 19.1 t70 -89.49 116.31 27.56 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 110.03 -0.359 . . . . 0.0 110.03 -179.436 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1944 ' ' VAL . . . . . . . . . . . . . 10.9 p -75.82 -35.03 29.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.462 -175.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1945 ' ' TYR . . . . . . . . . . . . . 59.6 m-85 -65.01 -40.42 94.87 Favored 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 111.489 0.181 . . . . 0.0 111.489 -175.859 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1946 ' ' THR . . . . . 0.414 HG22 ' HB2' ' A' 1937 ' ' LEU . 63.6 m -56.44 -41.8 77.04 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.244 0.545 . . . . 0.0 110.415 175.454 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1947 ' ' LYS . . . . . 0.414 ' HB3' ' HE2' ' A' 1947 ' ' LYS . 26.2 ttpt -71.69 -40.99 69.18 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.284 179.664 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1948 ' ' LYS . . . . . 0.494 ' O ' ' HG2' ' A' 1952 ' ' GLU . 9.0 mmpt? -54.05 -46.81 72.02 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.06 178.204 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1949 ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 -51.26 -49.65 60.76 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.431 -0.804 . . . . 0.0 110.997 177.507 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1950 ' ' LEU . . . . . 0.553 ' HG ' ' CD2' ' A' 1930 ' ' LEU . 8.9 tt -61.33 -45.37 94.69 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.682 -179.253 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1951 ' ' ILE . . . . . 0.432 ' HA ' HG12 ' A' 1872 ' ' VAL . 1.7 mp -59.99 -45.56 95.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.851 179.386 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1952 ' ' GLU . . . . . 0.494 ' HG2' ' O ' ' A' 1948 ' ' LYS . 61.9 mm-40 -65.13 -33.21 75.48 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.067 0.461 . . . . 0.0 110.525 179.294 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1953 ' ' CYS . . . . . . . . . . . . . 66.4 m -75.7 -46.28 32.05 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.902 -0.59 . . . . 0.0 112.245 -177.115 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1954 ' ' ALA . . . . . . . . . . . . . . . -59.73 -44.83 93.6 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 112.1 0.407 . . . . 0.0 112.1 -174.604 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1955 ' ' ARG . . . . . . . . . . . . . 5.6 ptp180 -61.68 -31.6 71.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.898 0.38 . . . . 0.0 110.823 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1956 ' ' ARG . . . . . . . . . . . . . 42.4 mtp180 -78.04 -43.73 28.51 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.062 -177.378 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1957 ' ' VAL . . . . . 0.559 ' O ' HG13 ' A' 1961 ' ' VAL . 11.1 m -70.23 -30.25 42.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 C-N-CA 120.334 -0.546 . . . . 0.0 110.504 -179.145 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1958 ' ' SER . . . . . . . . . . . . . 46.2 t -64.71 -24.7 67.65 Favored 'General case' 0 CA--C 1.53 0.19 0 CA-C-O 121.014 0.435 . . . . 0.0 109.971 175.211 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1959 ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -81.26 -41.2 22.56 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.225 0.536 . . . . 0.0 110.273 172.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1960 ' ' LYS . . . . . 0.589 ' HD3' ' CB ' ' A' 1922 ' ' GLU . 18.7 ttmm -65.42 -34.78 79.09 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.574 -178.052 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1961 ' ' VAL . . . . . 0.773 HG21 ' HB2' ' A' 1865 ' ' ALA . 20.8 m -68.67 -33.58 60.45 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.114 0 CA-C-O 121.173 0.511 . . . . 0.0 110.027 173.676 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1962 ' ' SER . . . . . 0.589 ' HA ' HD12 ' A' 1965 ' ' LEU . 36.8 t -67.62 -24.2 65.45 Favored 'General case' 0 N--CA 1.451 -0.382 0 CA-C-N 115.666 -0.697 . . . . 0.0 109.93 178.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1963 ' ' HIS . . . . . . . . . . . . . 59.4 m170 -75.53 -24.62 56.77 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.32 179.626 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1964 ' ' VAL . . . . . 0.489 HG11 HD11 ' A' 1896 ' ' LEU . 85.3 t -70.12 -43.89 78.59 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.258 0 N-CA-C 108.671 -0.863 . . . . 0.0 108.671 169.519 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1965 ' ' LEU . . . . . 0.589 HD12 ' HA ' ' A' 1962 ' ' SER . 26.5 mt -57.62 -48.04 80.52 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.137 -0.938 . . . . 0.0 110.201 177.656 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1966 ' ' ALA . . . . . . . . . . . . . . . -68.89 -45.1 71.8 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.577 -0.738 . . . . 0.0 112.088 -177.214 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1967 ' ' ALA . . . . . . . . . . . . . . . -57.88 -47.59 82.33 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-O 121.189 0.519 . . . . 0.0 110.933 -179.571 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1968 ' ' LEU . . . . . 0.977 ' HB3' ' HG3' ' A' 1854 ' ' GLN . 5.2 mp -64.02 -45.23 89.85 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.356 -0.838 . . . . 0.0 111.407 -179.469 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1969 ' ' GLN . . . . . . . . . . . . . 48.6 mt-30 -83.74 20.22 1.5 Allowed 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.649 -175.207 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1970 ' ' ALA . . . . . 0.508 ' HB3' HG12 ' A' 1912 ' ' ILE . . . -69.66 -21.45 63.53 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.927 0.394 . . . . 0.0 110.508 175.832 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1971 ' ' GLY . . . . . . . . . . . . . . . -75.23 -23.06 75.0 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.809 -0.71 . . . . 0.0 111.404 175.093 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1972 ' ' ASN . . . . . . . . . . . . . 62.8 t30 63.84 76.73 0.34 Allowed 'General case' 0 C--O 1.233 0.224 0 C-N-CA 123.338 0.655 . . . . 0.0 111.621 178.14 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1973 ' ' ARG . . . . . . . . . . . . . 14.7 ptm180 . . . . . 0 C--O 1.249 1.028 0 CA-C-O 118.32 -0.848 . . . . 0.0 110.079 174.822 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A 1837 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.634 0 N-CA-C 112.157 -0.377 . . . . 0.0 112.157 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A 1838 ' ' ILE . . . . . . . . . . . . . 6.3 tp -153.86 136.78 7.26 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-O 120.82 0.343 . . . . 0.0 110.228 179.375 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1839 ' ' ASP . . . . . 0.463 ' HB3' ' HD2' ' A' 1840 ' ' PRO . 10.6 m-20 -64.49 159.79 57.02 Favored Pre-proline 0 C--N 1.326 -0.419 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.407 177.579 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1840 ' ' PRO . . . . . 0.463 ' HD2' ' HB3' ' A' 1839 ' ' ASP . 60.6 Cg_endo -75.16 27.21 0.37 Allowed 'Trans proline' 0 CA--C 1.53 0.291 0 C-N-CA 122.833 2.356 . . . . 0.0 112.62 -179.9 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1841 ' ' PHE . . . . . . . . . . . . . 91.7 m-85 -121.6 17.89 11.21 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.0 178.51 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1842 ' ' THR . . . . . . . . . . . . . 30.7 p 64.33 172.75 0.19 Allowed 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 124.209 1.004 . . . . 0.0 112.703 176.488 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1843 ' ' MET . . . . . . . . . . . . . 51.6 ttm -119.22 99.9 6.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.199 -175.106 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1844 ' ' GLY . . . . . . . . . . . . . . . 63.18 41.97 99.53 Favored Glycine 0 N--CA 1.454 -0.153 0 C-N-CA 121.206 -0.521 . . . . 0.0 112.735 176.691 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1845 ' ' ASP . . . . . . . . . . . . . 34.5 t70 -81.65 121.41 79.62 Favored Pre-proline 0 C--N 1.321 -0.641 0 CA-C-O 121.037 0.446 . . . . 0.0 109.944 -178.142 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1846 ' ' PRO . . . . . . . . . . . . . 11.5 Cg_endo -55.35 -60.52 0.53 Allowed 'Trans proline' 0 CA--C 1.529 0.261 0 C-N-CA 123.855 3.036 . . . . 0.0 114.261 -168.546 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1847 ' ' GLU . . . . . 0.449 ' CD ' ' H ' ' A' 1847 ' ' GLU . 0.0 OUTLIER -102.29 -4.94 24.85 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 120.846 0.355 . . . . 0.0 111.395 -173.058 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A 1848 ' ' GLY . . . . . . . . . . . . . . . -68.54 -21.21 74.41 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.991 -0.623 . . . . 0.0 113.213 -178.608 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1849 ' ' SER . . . . . . . . . . . . . 32.1 m -91.75 -17.25 25.67 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.039 0.447 . . . . 0.0 110.952 179.441 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1850 ' ' PHE . . . . . . . . . . . . . 91.2 t80 -62.8 -23.19 67.12 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.364 -179.237 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1851 ' ' VAL . . . . . . . . . . . . . 15.1 m -59.81 -30.75 45.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.519 -0.764 . . . . 0.0 111.79 -178.462 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1852 ' ' ASP . . . . . . . . . . . . . 25.5 t70 -80.05 -41.95 24.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.925 0.393 . . . . 0.0 110.333 -177.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1853 ' ' TYR . . . . . 0.489 ' O ' HG22 ' A' 1856 ' ' THR . 47.8 m-85 -67.34 -29.81 69.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.31 0.576 . . . . 0.0 109.964 178.083 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1854 ' ' GLN . . . . . 0.926 ' HG3' ' HB3' ' A' 1968 ' ' LEU . 31.8 tt0 -62.21 -59.89 4.38 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.454 -0.794 . . . . 0.0 110.129 172.824 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1855 ' ' THR . . . . . 0.486 ' O ' ' HG2' ' A' 1859 ' ' ARG . 25.1 m -60.71 -32.85 72.08 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.479 -0.782 . . . . 0.0 112.607 -173.494 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1856 ' ' THR . . . . . 0.489 HG22 ' O ' ' A' 1853 ' ' TYR . 11.8 t -65.91 -50.35 64.77 Favored 'General case' 0 CA--C 1.538 0.506 0 N-CA-C 112.216 0.451 . . . . 0.0 112.216 -174.162 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1857 ' ' MET . . . . . 0.756 ' SD ' HD21 ' A' 1968 ' ' LEU . 7.0 ptp -82.89 -25.13 32.78 Favored 'General case' 0 C--N 1.328 -0.334 0 O-C-N 121.961 -0.462 . . . . 0.0 112.149 -173.694 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1858 ' ' VAL . . . . . 0.537 HG13 ' O ' ' A' 1854 ' ' GLN . 28.2 m -64.96 -29.77 48.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 C-N-CA 120.195 -0.602 . . . . 0.0 110.011 178.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1859 ' ' ARG . . . . . 0.486 ' HG2' ' O ' ' A' 1855 ' ' THR . 41.2 mmm-85 -63.12 -47.11 84.18 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.248 0.547 . . . . 0.0 109.622 174.163 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1860 ' ' THR . . . . . 0.424 ' O ' HG13 ' A' 1864 ' ' ILE . 89.6 m -60.76 -43.75 97.61 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-N 115.272 -0.876 . . . . 0.0 111.208 177.643 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1861 ' ' ALA . . . . . . . . . . . . . . . -57.86 -43.18 85.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.87 0.367 . . . . 0.0 110.965 179.406 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1862 ' ' LYS . . . . . 0.448 ' HG3' ' O ' ' A' 1858 ' ' VAL . 57.6 mttm -63.88 -42.22 97.54 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.288 177.13 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1863 ' ' ALA . . . . . . . . . . . . . . . -65.23 -41.97 93.85 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.723 -0.671 . . . . 0.0 111.029 179.26 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1864 ' ' ILE . . . . . 0.424 HG13 ' O ' ' A' 1860 ' ' THR . 68.9 mt -61.42 -44.15 98.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 N-CA-C 110.123 -0.325 . . . . 0.0 110.123 177.192 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1865 ' ' ALA . . . . . 0.753 ' HB2' HG21 ' A' 1961 ' ' VAL . . . -57.51 -45.22 85.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.813 -179.822 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1866 ' ' VAL . . . . . 0.401 ' O ' ' HG2' ' A' 1869 ' ' GLN . 13.0 p -73.37 -32.49 37.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 C-N-CA 120.487 -0.485 . . . . 0.0 110.467 -179.532 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1867 ' ' THR . . . . . . . . . . . . . 84.5 m -68.52 -46.56 69.26 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.741 0.305 . . . . 0.0 110.727 178.495 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1868 ' ' VAL . . . . . 0.436 ' O ' HG13 ' A' 1872 ' ' VAL . 32.6 m -67.17 -35.26 73.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.475 -0.329 . . . . 0.0 110.723 -179.78 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1869 ' ' GLN . . . . . 0.524 ' O ' HG22 ' A' 1872 ' ' VAL . 1.8 pt20 -73.89 -30.08 62.42 Favored 'General case' 0 N--CA 1.452 -0.349 0 C-N-CA 120.473 -0.491 . . . . 0.0 109.737 179.045 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1870 ' ' GLU . . . . . 0.557 ' O ' ' HG2' ' A' 1874 ' ' LYS . 27.0 mt-10 -62.68 -41.55 99.16 Favored 'General case' 0 C--O 1.219 -0.546 0 N-CA-C 109.778 -0.452 . . . . 0.0 109.778 172.151 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1871 ' ' MET . . . . . 0.48 ' HB3' HD21 ' A' 1950 ' ' LEU . 7.6 mtt -55.11 -44.47 75.01 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.076 178.856 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1872 ' ' VAL . . . . . 0.987 ' HB ' HG13 ' A' 1951 ' ' ILE . 1.3 m -75.06 -29.12 21.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 121.294 0.569 . . . . 0.0 110.789 -179.369 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1873 ' ' THR . . . . . . . . . . . . . 91.7 m -79.07 -44.46 22.09 Favored 'General case' 0 N--CA 1.441 -0.924 0 CA-C-N 115.508 -0.769 . . . . 0.0 111.207 -177.706 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1874 ' ' LYS . . . . . 0.557 ' HG2' ' O ' ' A' 1870 ' ' GLU . 31.5 mmtp -67.24 -40.25 86.29 Favored 'General case' 0 C--O 1.219 -0.506 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.613 -178.912 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1875 ' ' SER . . . . . 0.539 ' HB3' HD11 ' A' 1882 ' ' LEU . 6.1 p -58.0 -14.86 7.29 Favored 'General case' 0 N--CA 1.466 0.326 0 N-CA-C 113.168 0.803 . . . . 0.0 113.168 -172.439 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1876 ' ' ASN . . . . . . . . . . . . . 62.4 m-80 -63.87 -42.88 97.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.81 0.338 . . . . 0.0 110.494 176.149 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1877 ' ' THR . . . . . . . . . . . . . 27.4 p -122.83 -30.15 3.87 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.133 0.492 . . . . 0.0 112.088 -177.023 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1878 ' ' SER . . . . . . . . . . . . . 75.4 m -120.7 103.18 43.88 Favored Pre-proline 0 C--N 1.32 -0.706 0 CA-C-N 115.708 -0.678 . . . . 0.0 112.093 -169.122 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1879 ' ' PRO . . . . . 1.051 ' HA ' HD12 ' A' 1882 ' ' LEU . 21.9 Cg_endo -92.66 -7.72 2.73 Favored 'Trans proline' 0 N--CA 1.445 -1.382 0 C-N-CA 121.862 1.708 . . . . 0.0 111.182 171.521 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1880 ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 -72.36 -42.67 65.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.188 -0.915 . . . . 0.0 110.266 178.063 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1881 ' ' GLU . . . . . . . . . . . . . 54.3 mm-40 -63.57 -14.59 52.89 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.391 -0.822 . . . . 0.0 111.387 -179.486 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1882 ' ' LEU . . . . . 1.051 HD12 ' HA ' ' A' 1879 ' ' PRO . 3.1 mt -80.85 -9.01 59.86 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.711 -0.677 . . . . 0.0 112.33 -171.477 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1883 ' ' GLY . . . . . . . . . . . . . . . -76.09 -60.24 3.16 Favored Glycine 0 N--CA 1.448 -0.524 0 C-N-CA 120.52 -0.847 . . . . 0.0 111.434 175.06 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1884 ' ' PRO . . . . . . . . . . . . . 45.0 Cg_exo -57.32 -40.92 78.22 Favored 'Trans proline' 0 C--N 1.349 0.571 0 C-N-CA 122.759 2.306 . . . . 0.0 112.36 176.078 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1885 ' ' LEU . . . . . . . . . . . . . 56.5 mt -60.43 -37.79 82.04 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-O 120.592 0.234 . . . . 0.0 111.396 -179.465 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1886 ' ' ALA . . . . . . . . . . . . . . . -63.48 -50.32 70.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.973 0.416 . . . . 0.0 110.52 178.7 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1887 ' ' ASN . . . . . . . . . . . . . 56.8 t30 -63.17 -40.43 97.51 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.374 178.713 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1888 ' ' GLN . . . . . . . . . . . . . 28.6 tp60 -61.14 -48.63 80.72 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.277 -179.518 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1889 ' ' LEU . . . . . 0.436 HD11 HG12 ' A' 1868 ' ' VAL . 0.9 OUTLIER -55.81 -48.03 76.12 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 108.878 -0.786 . . . . 0.0 108.878 177.288 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A 1890 ' ' THR . . . . . . . . . . . . . 24.8 m -58.97 -42.22 89.4 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 114.814 -1.085 . . . . 0.0 111.293 -179.318 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1891 ' ' SER . . . . . . . . . . . . . 62.6 m -63.72 -49.18 74.09 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.786 -178.447 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1892 ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -68.56 -33.9 74.9 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 121.001 -0.28 . . . . 0.0 111.23 -177.804 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1893 ' ' TYR . . . . . . . . . . . . . 47.5 t80 -58.91 -33.99 71.18 Favored 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 121.065 -0.254 . . . . 0.0 110.641 177.538 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1894 ' ' GLY . . . . . . . . . . . . . . . -55.84 -38.89 75.69 Favored Glycine 0 C--N 1.332 0.309 0 C-N-CA 120.983 -0.627 . . . . 0.0 111.883 176.648 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1895 ' ' ARG . . . . . 0.477 ' O ' ' HG2' ' A' 1899 ' ' GLN . 75.2 mtp180 -66.93 -53.51 31.19 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.046 0.45 . . . . 0.0 110.053 176.571 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1896 ' ' LEU . . . . . 0.499 HD12 ' HB2' ' A' 1857 ' ' MET . 63.7 tp -52.56 -49.55 64.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.231 -0.895 . . . . 0.0 111.542 -177.907 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1897 ' ' ALA . . . . . . . . . . . . . . . -65.94 -29.82 70.29 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.647 -177.028 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1898 ' ' SER . . . . . . . . . . . . . 42.1 m -81.02 -32.5 34.14 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.759 0.314 . . . . 0.0 110.756 -176.246 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1899 ' ' GLN . . . . . 0.477 ' HG2' ' O ' ' A' 1895 ' ' ARG . 83.5 mm-40 -78.66 -10.4 59.74 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.62 -178.87 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1900 ' ' ALA . . . . . . . . . . . . . . . -70.66 -26.94 63.67 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.764 178.701 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1901 ' ' LYS . . . . . 0.433 ' HB3' ' HD3' ' A' 1902 ' ' PRO . 86.9 tttt -71.3 -57.74 4.38 Favored Pre-proline 0 CA--C 1.538 0.498 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.427 -179.37 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1902 ' ' PRO . . . . . 0.612 ' HA ' HG22 ' A' 1905 ' ' VAL . 36.6 Cg_endo -65.67 -22.47 57.59 Favored 'Trans proline' 0 C--N 1.356 0.957 0 C-N-CA 121.984 1.789 . . . . 0.0 112.485 -179.747 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1903 ' ' ALA . . . . . . . . . . . . . . . -73.56 -31.41 63.62 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.91 0.386 . . . . 0.0 110.441 177.035 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1904 ' ' ALA . . . . . . . . . . . . . . . -77.5 -34.1 54.26 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.608 -178.709 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1905 ' ' VAL . . . . . 0.612 HG22 ' HA ' ' A' 1902 ' ' PRO . 22.3 m -80.54 -12.1 12.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.039 -179.636 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1906 ' ' ALA . . . . . . . . . . . . . . . -106.27 6.0 30.28 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.039 0.447 . . . . 0.0 110.281 176.204 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1907 ' ' ALA . . . . . . . . . . . . . . . -81.91 131.72 35.26 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.885 -179.385 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1908 ' ' GLU . . . . . . . . . . . . . 35.9 mm-40 -80.35 -30.94 38.03 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.96 -178.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1909 ' ' ASN . . . . . 0.699 ' HB2' HG13 ' A' 1912 ' ' ILE . 91.5 m-20 -112.71 156.15 23.28 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.53 -0.305 . . . . 0.0 110.863 -176.764 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1910 ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -50.49 -53.33 30.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.334 -0.848 . . . . 0.0 110.917 178.085 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1911 ' ' GLU . . . . . 0.496 ' HB3' ' CD2' ' A' 1915 ' ' HIS . 1.3 mm-40 -75.39 -29.0 59.68 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 114.516 -1.22 . . . . 0.0 113.009 -170.419 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1912 ' ' ILE . . . . . 0.699 HG13 ' HB2' ' A' 1909 ' ' ASN . 58.0 mt -55.05 -53.39 34.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 C-N-CA 120.665 -0.414 . . . . 0.0 110.122 -179.563 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1913 ' ' GLY . . . . . . . . . . . . . . . -71.53 -33.37 63.94 Favored Glycine 0 N--CA 1.447 -0.602 0 C-N-CA 120.612 -0.804 . . . . 0.0 112.125 179.053 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1914 ' ' ALA . . . . . . . . . . . . . . . -69.03 -44.49 72.61 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.525 0.202 . . . . 0.0 110.79 -176.369 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1915 ' ' HIS . . . . . 0.523 ' O ' ' HG2' ' A' 1919 ' ' ARG . 63.4 m-70 -59.73 -45.4 92.29 Favored 'General case' 0 CA--C 1.519 -0.232 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.726 -179.406 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1916 ' ' ILE . . . . . 0.456 HG13 ' O ' ' A' 1912 ' ' ILE . 82.5 mt -54.08 -58.99 2.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.608 178.213 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1917 ' ' LYS . . . . . 0.516 ' O ' ' HG2' ' A' 1921 ' ' GLN . 21.5 mtpp -60.78 -33.39 72.89 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.353 -0.84 . . . . 0.0 111.641 -177.78 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1918 ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -71.58 -43.92 65.41 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.341 -178.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1919 ' ' ARG . . . . . 0.523 ' HG2' ' O ' ' A' 1915 ' ' HIS . 0.8 OUTLIER -73.56 -35.88 65.53 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.567 -0.288 . . . . 0.0 111.288 -176.279 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A 1920 ' ' VAL . . . . . . . . . . . . . 31.4 m -68.23 -29.71 45.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.799 0.333 . . . . 0.0 110.464 177.518 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1921 ' ' GLN . . . . . 0.516 ' HG2' ' O ' ' A' 1917 ' ' LYS . 12.3 mm100 -67.84 -41.66 82.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.871 0.367 . . . . 0.0 110.346 175.771 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1922 ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -67.69 -37.54 82.44 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.555 177.412 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1923 ' ' LEU . . . . . . . . . . . . . 33.0 mt -64.74 -31.1 72.17 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.523 174.204 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1924 ' ' GLY . . . . . . . . . . . . . . . -64.38 -45.35 93.57 Favored Glycine 0 N--CA 1.449 -0.485 0 C-N-CA 120.987 -0.625 . . . . 0.0 111.648 174.704 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1925 ' ' HIS . . . . . . . . . . . . . 29.2 m170 -64.17 -39.83 94.83 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.128 0.489 . . . . 0.0 109.846 176.436 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1926 ' ' GLY . . . . . . . . . . . . . . . -66.35 -52.55 34.86 Favored Glycine 0 N--CA 1.447 -0.583 0 CA-C-N 115.332 -0.849 . . . . 0.0 113.24 -178.822 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1927 ' ' CYS . . . . . . . . . . . . . 22.6 p -62.45 -40.25 96.01 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 117.127 0.463 . . . . 0.0 111.053 -177.221 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1928 ' ' SER . . . . . . . . . . . . . 37.5 t -58.87 -44.07 90.99 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-O 120.779 0.323 . . . . 0.0 110.684 178.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1929 ' ' ALA . . . . . . . . . . . . . . . -70.51 -40.77 73.33 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.879 0.371 . . . . 0.0 110.439 178.066 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1930 ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -61.73 -53.55 54.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.986 -178.305 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1931 ' ' VAL . . . . . . . . . . . . . 30.0 m -63.16 -29.5 47.39 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.171 0 CA-C-O 120.679 0.276 . . . . 0.0 111.017 -176.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1932 ' ' THR . . . . . . . . . . . . . 87.0 m -68.54 -44.99 73.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.444 176.484 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1933 ' ' LYS . . . . . . . . . . . . . 73.1 mmtt -67.77 -34.36 76.64 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.462 177.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1934 ' ' ALA . . . . . 0.486 ' HA ' HD12 ' A' 1950 ' ' LEU . . . -59.83 -48.92 79.74 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.343 175.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1935 ' ' GLY . . . . . . . . . . . . . . . -68.0 -41.15 88.21 Favored Glycine 0 N--CA 1.449 -0.494 0 C-N-CA 120.999 -0.619 . . . . 0.0 112.027 177.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1936 ' ' ALA . . . . . . . . . . . . . . . -61.62 -41.23 97.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.574 0.226 . . . . 0.0 111.287 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1937 ' ' LEU . . . . . 0.487 ' HB2' HG22 ' A' 1946 ' ' THR . 34.2 tp -70.6 -34.9 72.67 Favored 'General case' 0 CA--C 1.511 -0.539 0 CA-C-O 121.035 0.445 . . . . 0.0 110.211 177.585 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1938 ' ' GLN . . . . . . . . . . . . . 37.5 tt0 -65.21 -26.89 68.33 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.159 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1939 ' ' CYS . . . . . . . . . . . . . 76.1 m -78.5 -13.81 59.66 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.376 176.472 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1940 ' ' SER . . . . . . . . . . . . . 69.3 m -159.27 84.5 2.32 Favored Pre-proline 0 N--CA 1.465 0.312 0 CA-C-O 120.723 0.297 . . . . 0.0 110.737 -179.29 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1941 ' ' PRO . . . . . 0.633 ' HB3' ' HG3' ' A' 1879 ' ' PRO . 55.7 Cg_endo -71.09 -18.97 30.46 Favored 'Trans proline' 0 C--N 1.343 0.265 0 C-N-CA 122.753 2.302 . . . . 0.0 113.319 -174.3 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1942 ' ' SER . . . . . . . . . . . . . 4.0 p -79.92 -23.59 41.65 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.755 -177.041 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1943 ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -77.06 111.12 12.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.117 0.484 . . . . 0.0 110.548 -179.12 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1944 ' ' VAL . . . . . 0.454 ' O ' ' HG3' ' A' 1948 ' ' LYS . 14.6 p -71.05 -32.6 48.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.508 -175.406 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1945 ' ' TYR . . . . . . . . . . . . . 97.8 m-85 -60.87 -48.02 83.74 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.505 -0.316 . . . . 0.0 111.545 -174.826 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1946 ' ' THR . . . . . 0.487 HG22 ' HB2' ' A' 1937 ' ' LEU . 95.9 m -59.89 -37.44 79.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.078 0.466 . . . . 0.0 110.662 177.51 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1947 ' ' LYS . . . . . . . . . . . . . 31.6 ttpt -61.52 -48.31 81.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.588 -179.67 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1948 ' ' LYS . . . . . 0.454 ' HG3' ' O ' ' A' 1944 ' ' VAL . 13.4 mtpt -63.62 -37.88 89.01 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.115 -173.226 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1949 ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -63.47 -31.96 73.26 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.022 0.439 . . . . 0.0 110.527 178.665 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1950 ' ' LEU . . . . . 0.592 HD11 HD22 ' A' 1882 ' ' LEU . 8.6 tt -66.11 -52.08 51.96 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.776 -0.647 . . . . 0.0 109.628 176.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1951 ' ' ILE . . . . . 0.987 HG13 ' HB ' ' A' 1872 ' ' VAL . 1.9 mp -57.97 -45.6 87.86 Favored 'Isoleucine or valine' 0 C--O 1.235 0.324 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.085 177.244 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1952 ' ' GLU . . . . . 0.485 ' O ' ' HG3' ' A' 1956 ' ' ARG . 51.9 mm-40 -59.47 -36.86 76.78 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.719 -0.673 . . . . 0.0 112.135 -179.162 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1953 ' ' CYS . . . . . 0.423 ' O ' HG13 ' A' 1957 ' ' VAL . 39.6 t -75.69 -46.28 32.11 Favored 'General case' 0 C--N 1.319 -0.745 0 C-N-CA 120.715 -0.394 . . . . 0.0 110.791 -178.295 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1954 ' ' ALA . . . . . 0.477 ' HB3' ' CG1' ' A' 1872 ' ' VAL . . . -62.64 -40.94 98.59 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 111.967 0.358 . . . . 0.0 111.967 -175.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1955 ' ' ARG . . . . . . . . . . . . . 5.7 ptm180 -63.31 -29.7 70.97 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.101 0.476 . . . . 0.0 110.72 179.203 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1956 ' ' ARG . . . . . 0.485 ' HG3' ' O ' ' A' 1952 ' ' GLU . 54.4 mtt-85 -82.1 -35.06 28.99 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.114 -177.632 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1957 ' ' VAL . . . . . 0.518 ' O ' HG13 ' A' 1961 ' ' VAL . 8.6 m -80.26 -28.94 12.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 C-N-CA 120.899 -0.32 . . . . 0.0 111.146 -179.462 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1958 ' ' SER . . . . . 0.62 ' O ' HG22 ' A' 1961 ' ' VAL . 12.4 p -65.72 -24.32 66.95 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 121.188 0.518 . . . . 0.0 110.337 178.141 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1959 ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -74.21 -39.68 62.95 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.058 171.455 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1960 ' ' LYS . . . . . 0.439 ' HG3' ' O ' ' A' 1956 ' ' ARG . 65.4 mttm -65.39 -31.92 73.28 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.266 -177.262 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1961 ' ' VAL . . . . . 0.753 HG21 ' HB2' ' A' 1865 ' ' ALA . 3.7 m -64.08 -35.25 73.06 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.221 0 CA-C-O 121.034 0.445 . . . . 0.0 109.835 178.081 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1962 ' ' SER . . . . . 0.663 ' HA ' HD12 ' A' 1965 ' ' LEU . 20.1 m -73.16 -24.55 60.59 Favored 'General case' 0 N--CA 1.442 -0.851 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.478 176.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1963 ' ' HIS . . . . . 0.407 ' ND1' ' HA ' ' A' 1960 ' ' LYS . 39.9 m170 -73.77 -28.9 61.9 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.412 -0.588 . . . . 0.0 109.412 177.203 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1964 ' ' VAL . . . . . 0.495 ' O ' HD23 ' A' 1968 ' ' LEU . 84.5 t -65.95 -49.14 78.91 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.207 0 N-CA-C 108.827 -0.805 . . . . 0.0 108.827 169.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1965 ' ' LEU . . . . . 0.663 HD12 ' HA ' ' A' 1962 ' ' SER . 57.0 mt -51.0 -47.18 61.64 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.627 177.645 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1966 ' ' ALA . . . . . . . . . . . . . . . -63.14 -36.05 82.31 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.953 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1967 ' ' ALA . . . . . . . . . . . . . . . -67.39 -44.78 78.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.831 0.348 . . . . 0.0 111.125 -179.283 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1968 ' ' LEU . . . . . 0.926 ' HB3' ' HG3' ' A' 1854 ' ' GLN . 4.0 mm? -70.98 -29.15 65.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.902 -179.169 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1969 ' ' GLN . . . . . . . . . . . . . 71.5 mt-30 -85.84 -0.43 55.32 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.256 -179.546 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1970 ' ' ALA . . . . . . . . . . . . . . . -79.67 110.55 15.11 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.851 0.358 . . . . 0.0 110.127 178.16 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1971 ' ' GLY . . . . . . . . . . . . . . . -133.22 150.87 19.91 Favored Glycine 0 N--CA 1.445 -0.736 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.187 -178.545 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1972 ' ' ASN . . . . . 0.495 ' HB3' HD21 ' A' 1909 ' ' ASN . 23.1 p-10 -112.23 1.13 16.03 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.568 0.223 . . . . 0.0 111.082 -179.051 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1973 ' ' ARG . . . . . . . . . . . . . 77.5 ttt180 . . . . . 0 C--O 1.249 1.028 0 CA-C-O 118.416 -0.802 . . . . 0.0 110.214 -176.822 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A 1837 ' ' GLY . . . . . 0.485 ' O ' ' HB ' ' A' 1838 ' ' ILE . . . . . . . . 0 N--CA 1.482 1.734 0 N-CA-C 111.193 -0.763 . . . . 0.0 111.193 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1838 ' ' ILE . . . . . 0.485 ' HB ' ' O ' ' A' 1837 ' ' GLY . 2.7 mp 72.28 -58.73 0.28 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.294 0 N-CA-C 109.495 -0.558 . . . . 0.0 109.495 -170.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1839 ' ' ASP . . . . . 0.502 ' HA ' ' HD3' ' A' 1840 ' ' PRO . 2.7 m-20 68.0 125.14 0.03 OUTLIER Pre-proline 0 N--CA 1.465 0.318 0 O-C-N 124.199 0.937 . . . . 0.0 112.358 173.433 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1840 ' ' PRO . . . . . 0.502 ' HD3' ' HA ' ' A' 1839 ' ' ASP . 7.6 Cg_exo -74.07 -3.61 14.07 Favored 'Trans proline' 0 C--O 1.234 0.289 0 C-N-CA 123.403 2.735 . . . . 0.0 112.408 179.626 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1841 ' ' PHE . . . . . . . . . . . . . 82.8 m-85 -84.79 70.6 10.85 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.478 -178.622 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1842 ' ' THR . . . . . 0.552 ' HB ' ' SD ' ' A' 1843 ' ' MET . 12.2 p -141.64 -75.23 0.3 Allowed 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.151 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1843 ' ' MET . . . . . 0.552 ' SD ' ' HB ' ' A' 1842 ' ' THR . 3.6 mpp? -118.72 -41.22 2.81 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.893 0.377 . . . . 0.0 110.931 -179.615 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1844 ' ' GLY . . . . . . . . . . . . . . . 107.65 29.03 4.57 Favored Glycine 0 N--CA 1.448 -0.553 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.197 -178.638 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1845 ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -70.31 125.68 92.08 Favored Pre-proline 0 C--N 1.327 -0.371 0 CA-C-O 120.801 0.334 . . . . 0.0 111.067 179.633 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1846 ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -75.01 -19.29 17.97 Favored 'Trans proline' 0 N--CA 1.461 -0.416 0 C-N-CA 122.618 2.212 . . . . 0.0 111.685 177.537 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1847 ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -111.46 127.8 55.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.202 177.442 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1848 ' ' GLY . . . . . . . . . . . . . . . -167.51 156.69 28.6 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.954 -0.641 . . . . 0.0 111.817 -178.088 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1849 ' ' SER . . . . . . . . . . . . . 13.5 t 71.22 -51.17 0.69 Allowed 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 123.367 0.667 . . . . 0.0 110.531 -176.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1850 ' ' PHE . . . . . 0.4 ' HA ' ' HD2' ' A' 1853 ' ' TYR . 40.0 t80 -58.18 -30.28 66.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.713 175.055 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1851 ' ' VAL . . . . . . . . . . . . . 34.5 m -58.5 -25.04 26.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.794 -0.639 . . . . 0.0 112.075 -177.471 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1852 ' ' ASP . . . . . . . . . . . . . 19.3 t70 -71.99 -52.66 15.97 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.816 0.341 . . . . 0.0 110.457 177.484 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1853 ' ' TYR . . . . . 0.557 ' O ' ' HG2' ' A' 1857 ' ' MET . 20.2 m-85 -61.0 -42.86 99.26 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.13 -0.693 . . . . 0.0 109.13 178.31 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1854 ' ' GLN . . . . . 0.765 ' HG3' ' HB3' ' A' 1968 ' ' LEU . 39.0 tt0 -49.4 -60.5 2.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 114.564 -1.198 . . . . 0.0 110.775 176.589 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1855 ' ' THR . . . . . 0.612 ' O ' ' HG2' ' A' 1859 ' ' ARG . 29.7 m -64.41 -27.75 69.21 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.314 -177.124 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1856 ' ' THR . . . . . 0.458 HG22 ' N ' ' A' 1857 ' ' MET . 1.0 OUTLIER -69.25 -56.17 8.35 Favored 'General case' 0 N--CA 1.445 -0.677 0 CA-C-O 120.838 0.352 . . . . 0.0 111.515 179.029 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A 1857 ' ' MET . . . . . 0.887 ' HG3' HD11 ' A' 1968 ' ' LEU . 7.0 ptm -77.88 -17.72 57.01 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 111.895 0.332 . . . . 0.0 111.895 -170.911 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1858 ' ' VAL . . . . . 0.469 HG13 ' O ' ' A' 1854 ' ' GLN . 34.5 m -66.32 -40.44 86.76 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.165 0 C-N-CA 119.651 -0.82 . . . . 0.0 109.545 170.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1859 ' ' ARG . . . . . 0.612 ' HG2' ' O ' ' A' 1855 ' ' THR . 36.4 mmt180 -62.81 -41.62 99.37 Favored 'General case' 0 CA--C 1.519 -0.213 0 CA-C-O 121.26 0.552 . . . . 0.0 109.611 177.659 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1860 ' ' THR . . . . . 0.443 HG21 ' HB2' ' A' 1896 ' ' LEU . 32.6 m -65.84 -45.22 83.04 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.273 -0.876 . . . . 0.0 111.06 -178.544 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1861 ' ' ALA . . . . . 0.454 ' HB1' ' HB ' ' A' 1961 ' ' VAL . . . -60.64 -41.21 94.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.861 0.363 . . . . 0.0 110.694 178.598 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1862 ' ' LYS . . . . . . . . . . . . . 57.1 mttm -66.7 -38.44 86.76 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.492 177.847 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1863 ' ' ALA . . . . . . . . . . . . . . . -64.26 -42.38 96.51 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.527 177.641 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1864 ' ' ILE . . . . . 0.647 ' O ' HG13 ' A' 1868 ' ' VAL . 66.7 mt -62.28 -46.81 95.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.154 175.689 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1865 ' ' ALA . . . . . 0.801 ' HB2' HG21 ' A' 1961 ' ' VAL . . . -56.07 -48.45 76.07 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.707 -179.345 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1866 ' ' VAL . . . . . . . . . . . . . 8.7 p -67.93 -29.79 46.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 C-N-CA 120.489 -0.484 . . . . 0.0 110.454 -179.509 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1867 ' ' THR . . . . . 0.668 ' O ' ' HG3' ' A' 1871 ' ' MET . 95.8 m -67.39 -50.29 60.24 Favored 'General case' 0 N--CA 1.455 -0.198 0 CA-C-N 116.729 -0.214 . . . . 0.0 110.663 177.842 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1868 ' ' VAL . . . . . 0.647 HG13 ' O ' ' A' 1864 ' ' ILE . 2.9 m -61.54 -31.83 51.75 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.313 0 CA-C-O 121.716 0.769 . . . . 0.0 109.743 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1869 ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -74.31 -32.6 62.91 Favored 'General case' 0 N--CA 1.424 -1.727 0 CA-C-N 114.642 -1.163 . . . . 0.0 110.265 -179.371 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1870 ' ' GLU . . . . . 0.597 ' O ' ' HG2' ' A' 1874 ' ' LYS . 39.2 mt-10 -70.46 -44.49 67.67 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.286 173.271 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1871 ' ' MET . . . . . 0.668 ' HG3' ' O ' ' A' 1867 ' ' THR . 43.1 mtp -52.81 -51.45 60.77 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.034 -177.686 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1872 ' ' VAL . . . . . 0.466 HG12 ' HA ' ' A' 1951 ' ' ILE . 34.5 m -66.98 -29.25 45.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-O 120.891 0.377 . . . . 0.0 111.487 -179.768 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1873 ' ' THR . . . . . . . . . . . . . 97.3 m -72.96 -40.34 65.41 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.65 178.33 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1874 ' ' LYS . . . . . 0.597 ' HG2' ' O ' ' A' 1870 ' ' GLU . 74.5 mmtt -65.84 -39.87 91.2 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.484 178.545 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1875 ' ' SER . . . . . . . . . . . . . 36.1 m -55.62 -18.54 7.99 Favored 'General case' 0 N--CA 1.466 0.357 0 N-CA-C 113.213 0.819 . . . . 0.0 113.213 -172.533 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1876 ' ' ASN . . . . . . . . . . . . . 59.4 m-80 -66.98 -35.52 80.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.912 0.387 . . . . 0.0 110.852 179.438 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1877 ' ' THR . . . . . . . . . . . . . 22.5 p -132.62 -42.36 0.93 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.137 0.494 . . . . 0.0 111.925 -174.07 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1878 ' ' SER . . . . . . . . . . . . . 43.3 m -111.53 97.73 37.72 Favored Pre-proline 0 C--N 1.323 -0.566 0 CA-C-N 115.657 -0.701 . . . . 0.0 111.64 -173.026 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1879 ' ' PRO . . . . . 0.875 ' HA ' HD12 ' A' 1882 ' ' LEU . 61.3 Cg_endo -91.69 -14.07 1.66 Allowed 'Trans proline' 0 N--CA 1.443 -1.461 0 C-N-CA 121.637 1.558 . . . . 0.0 112.631 177.461 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1880 ' ' GLU . . . . . . . . . . . . . 53.4 mm-40 -77.61 -29.04 51.68 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-O 121.185 0.517 . . . . 0.0 109.686 176.832 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1881 ' ' GLU . . . . . . . . . . . . . 19.7 mm-40 -67.25 -14.23 62.72 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.479 -0.782 . . . . 0.0 111.596 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1882 ' ' LEU . . . . . 0.875 HD12 ' HA ' ' A' 1879 ' ' PRO . 0.6 OUTLIER -78.72 -12.61 60.03 Favored 'General case' 0 N--CA 1.442 -0.849 0 CA-C-N 115.936 -0.575 . . . . 0.0 112.002 -177.672 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A 1883 ' ' GLY . . . . . . . . . . . . . . . -63.41 -61.54 6.19 Favored Glycine 0 CA--C 1.519 0.34 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.162 176.238 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1884 ' ' PRO . . . . . . . . . . . . . 13.7 Cg_endo -58.81 -35.83 97.99 Favored 'Trans proline' 0 C--N 1.348 0.52 0 C-N-CA 122.522 2.148 . . . . 0.0 112.47 176.252 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1885 ' ' LEU . . . . . 0.423 ' HB3' ' HG2' ' A' 1871 ' ' MET . 63.1 mt -65.0 -40.2 94.58 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.662 -0.244 . . . . 0.0 111.333 -179.535 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1886 ' ' ALA . . . . . . . . . . . . . . . -61.65 -44.05 97.7 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.167 0.508 . . . . 0.0 110.455 178.099 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1887 ' ' ASN . . . . . . . . . . . . . 94.1 m-20 -66.44 -37.7 85.74 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.49 177.876 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1888 ' ' GLN . . . . . . . . . . . . . 32.6 tp60 -61.88 -48.4 80.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.669 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1889 ' ' LEU . . . . . 0.51 HD12 ' SD ' ' A' 1871 ' ' MET . 1.6 tt -58.94 -42.89 90.88 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.357 0.598 . . . . 0.0 109.472 178.125 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1890 ' ' THR . . . . . . . . . . . . . 90.9 m -61.62 -51.38 68.72 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.18 -0.918 . . . . 0.0 111.659 -178.483 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1891 ' ' SER . . . . . . . . . . . . . 38.6 m -59.81 -46.84 87.98 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.696 -177.113 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1892 ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -67.76 -36.71 80.99 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.446 -178.043 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1893 ' ' TYR . . . . . . . . . . . . . 40.5 t80 -61.98 -36.47 81.57 Favored 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 120.591 -0.443 . . . . 0.0 110.536 177.038 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1894 ' ' GLY . . . . . . . . . . . . . . . -57.46 -38.65 88.18 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.858 -0.687 . . . . 0.0 111.691 177.171 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1895 ' ' ARG . . . . . . . . . . . . . 43.2 ttp-105 -70.6 -45.7 64.81 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.961 0.41 . . . . 0.0 110.098 176.885 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1896 ' ' LEU . . . . . 0.542 HD11 HG11 ' A' 1964 ' ' VAL . 61.3 tp -56.77 -52.28 65.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.608 -0.724 . . . . 0.0 111.508 -179.658 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1897 ' ' ALA . . . . . . . . . . . . . . . -63.91 -24.5 67.76 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.011 -0.541 . . . . 0.0 111.558 -176.811 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1898 ' ' SER . . . . . . . . . . . . . 64.9 m -80.8 -34.3 34.18 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.069 0.461 . . . . 0.0 110.464 -176.137 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1899 ' ' GLN . . . . . 0.425 ' HG3' ' CG2' ' A' 1856 ' ' THR . 16.1 mm100 -72.27 -14.61 61.81 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.681 179.651 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1900 ' ' ALA . . . . . . . . . . . . . . . -68.47 -26.74 65.64 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.859 -0.609 . . . . 0.0 111.494 179.231 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1901 ' ' LYS . . . . . 0.449 ' HB3' ' HD3' ' A' 1902 ' ' PRO . 85.4 tttt -71.06 -57.87 4.5 Favored Pre-proline 0 CA--C 1.538 0.492 0 C-N-CA 121.096 -0.241 . . . . 0.0 111.173 -178.361 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1902 ' ' PRO . . . . . 0.449 ' HD3' ' HB3' ' A' 1901 ' ' LYS . 31.1 Cg_endo -64.79 -32.34 56.34 Favored 'Trans proline' 0 C--N 1.356 0.923 0 C-N-CA 121.843 1.696 . . . . 0.0 112.169 179.076 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1903 ' ' ALA . . . . . . . . . . . . . . . -68.86 -28.66 66.91 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.985 179.562 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1904 ' ' ALA . . . . . 0.419 ' HA ' ' HA2' ' A' 1913 ' ' GLY . . . -78.94 -47.06 17.08 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.97 0.415 . . . . 0.0 110.748 -179.529 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1905 ' ' VAL . . . . . 0.449 HG22 ' HA ' ' A' 1902 ' ' PRO . 34.9 m -72.49 -27.47 26.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.0 -0.546 . . . . 0.0 111.476 -177.324 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1906 ' ' ALA . . . . . . . . . . . . . . . -105.78 21.98 16.35 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.798 0.332 . . . . 0.0 110.78 179.413 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1907 ' ' ALA . . . . . . . . . . . . . . . -74.31 130.63 40.06 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.309 179.843 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1908 ' ' GLU . . . . . . . . . . . . . 12.1 mp0 -55.11 -47.93 74.31 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.575 -0.739 . . . . 0.0 111.935 175.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1909 ' ' ASN . . . . . 0.609 ' HB2' HG13 ' A' 1912 ' ' ILE . 92.1 m-20 -118.8 163.05 17.46 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.443 -171.28 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1910 ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -56.32 -54.32 46.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.226 -0.897 . . . . 0.0 111.326 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1911 ' ' GLU . . . . . 0.509 ' HB3' ' CD2' ' A' 1915 ' ' HIS . 31.5 mt-10 -66.92 -31.52 72.17 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.779 -173.618 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1912 ' ' ILE . . . . . 0.609 HG13 ' HB2' ' A' 1909 ' ' ASN . 43.1 mt -59.09 -54.05 39.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 C-N-CA 121.1 -0.24 . . . . 0.0 110.747 -177.401 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1913 ' ' GLY . . . . . 0.419 ' HA2' ' HA ' ' A' 1904 ' ' ALA . . . -65.55 -31.21 79.4 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.473 -177.701 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1914 ' ' ALA . . . . . . . . . . . . . . . -76.88 -48.91 16.94 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.781 0.324 . . . . 0.0 110.998 -177.695 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1915 ' ' HIS . . . . . 0.627 ' O ' ' HG2' ' A' 1919 ' ' ARG . 60.6 m-70 -59.99 -44.22 94.66 Favored 'General case' 0 CA--C 1.518 -0.257 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.688 -175.334 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1916 ' ' ILE . . . . . 0.46 HG13 ' O ' ' A' 1912 ' ' ILE . 91.6 mt -52.55 -52.42 26.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 O-C-N 123.462 0.476 . . . . 0.0 111.29 -178.781 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1917 ' ' LYS . . . . . . . . . . . . . 56.9 mtmt -66.27 -37.51 85.62 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.293 -177.59 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1918 ' ' HIS . . . . . . . . . . . . . 62.8 m-70 -64.31 -33.4 75.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.816 0.341 . . . . 0.0 111.332 179.103 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1919 ' ' ARG . . . . . 0.627 ' HG2' ' O ' ' A' 1915 ' ' HIS . 26.4 mmt180 -77.69 -47.84 18.21 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.925 -0.31 . . . . 0.0 111.046 -177.063 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1920 ' ' VAL . . . . . . . . . . . . . 34.5 m -66.14 -34.37 69.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 C-N-CA 120.998 -0.281 . . . . 0.0 110.988 -178.785 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1921 ' ' GLN . . . . . . . . . . . . . 53.4 tt0 -62.53 -41.2 98.72 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-O 121.223 0.535 . . . . 0.0 110.105 177.299 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1922 ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -73.89 -35.21 64.66 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.267 178.379 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1923 ' ' LEU . . . . . . . . . . . . . 24.8 mt -59.55 -34.61 72.88 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.409 -0.359 . . . . 0.0 110.442 174.303 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1924 ' ' GLY . . . . . . . . . . . . . . . -57.67 -35.88 75.97 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.881 -0.676 . . . . 0.0 112.26 177.495 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1925 ' ' HIS . . . . . . . . . . . . . 29.7 m170 -78.61 -30.57 46.64 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.998 0.428 . . . . 0.0 110.622 179.686 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1926 ' ' GLY . . . . . . . . . . . . . . . -77.84 -46.29 9.71 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.912 -0.661 . . . . 0.0 112.473 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1927 ' ' CYS . . . . . . . . . . . . . 68.8 m -64.28 -42.25 96.51 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.504 0.192 . . . . 0.0 111.016 -178.595 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1928 ' ' SER . . . . . . . . . . . . . 26.8 p -61.57 -44.92 96.15 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.978 0.418 . . . . 0.0 110.778 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1929 ' ' ALA . . . . . 0.475 ' O ' ' HG2' ' A' 1933 ' ' LYS . . . -62.63 -45.87 90.87 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.588 177.508 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1930 ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.8 -52.4 65.61 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.046 -177.618 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1931 ' ' VAL . . . . . . . . . . . . . 29.1 m -65.23 -28.19 43.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 120.833 0.349 . . . . 0.0 111.243 -176.612 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1932 ' ' THR . . . . . . . . . . . . . 85.7 m -70.5 -41.8 72.17 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.925 0.393 . . . . 0.0 110.21 175.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1933 ' ' LYS . . . . . 0.475 ' HG2' ' O ' ' A' 1929 ' ' ALA . 74.3 mmtt -68.17 -40.57 82.28 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.41 177.611 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1934 ' ' ALA . . . . . 0.495 ' O ' ' HB2' ' A' 1938 ' ' GLN . . . -58.89 -39.8 82.54 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.468 175.608 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1935 ' ' GLY . . . . . . . . . . . . . . . -69.37 -34.23 74.11 Favored Glycine 0 N--CA 1.449 -0.474 0 C-N-CA 120.964 -0.636 . . . . 0.0 112.178 177.686 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1936 ' ' ALA . . . . . . . . . . . . . . . -73.43 -45.35 54.96 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.772 0.32 . . . . 0.0 111.12 -179.497 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1937 ' ' LEU . . . . . 0.499 ' N ' HG21 ' A' 1946 ' ' THR . 37.8 tp -67.48 -24.96 65.65 Favored 'General case' 0 CA--C 1.516 -0.327 0 CA-C-O 121.555 0.693 . . . . 0.0 109.789 178.443 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1938 ' ' GLN . . . . . 0.496 ' HG3' ' O ' ' A' 1879 ' ' PRO . 6.8 tt0 -67.16 -26.9 66.88 Favored 'General case' 0 N--CA 1.444 -0.742 0 CA-C-N 115.029 -0.987 . . . . 0.0 109.8 178.048 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1939 ' ' CYS . . . . . . . . . . . . . 66.2 m -86.17 -43.66 12.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.525 176.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1940 ' ' SER . . . . . . . . . . . . . 14.6 m -114.79 90.11 21.27 Favored Pre-proline 0 C--N 1.325 -0.5 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.331 -179.156 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1941 ' ' PRO . . . . . 0.624 ' HB3' ' HG3' ' A' 1879 ' ' PRO . 40.9 Cg_endo -70.07 -25.16 27.46 Favored 'Trans proline' 0 C--O 1.235 0.336 0 C-N-CA 122.879 2.386 . . . . 0.0 113.362 -174.71 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1942 ' ' SER . . . . . . . . . . . . . 20.1 m -99.74 7.01 45.42 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.746 0.308 . . . . 0.0 111.138 -176.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1943 ' ' ASP . . . . . . . . . . . . . 21.1 t70 -86.64 104.55 16.17 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.137 0.494 . . . . 0.0 109.828 179.15 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1944 ' ' VAL . . . . . . . . . . . . . 9.0 p -69.96 -27.92 34.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 116.046 -0.524 . . . . 0.0 111.047 -175.534 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1945 ' ' TYR . . . . . 0.487 ' O ' ' HG3' ' A' 1949 ' ' GLU . 91.4 m-85 -61.85 -53.59 53.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.939 0.399 . . . . 0.0 110.513 -178.429 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1946 ' ' THR . . . . . 0.499 HG21 ' N ' ' A' 1937 ' ' LEU . 62.8 m -60.85 -40.48 93.05 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.625 178.466 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1947 ' ' LYS . . . . . . . . . . . . . 30.0 ttpt -60.9 -47.58 85.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.165 178.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1948 ' ' LYS . . . . . 0.509 ' HE2' ' HA ' ' A' 1948 ' ' LYS . 7.6 mmpt? -54.22 -49.84 68.52 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.912 179.086 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1949 ' ' GLU . . . . . 0.487 ' HG3' ' O ' ' A' 1945 ' ' TYR . 34.2 mt-10 -57.91 -41.79 83.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.782 -179.612 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1950 ' ' LEU . . . . . 0.713 HD11 HD22 ' A' 1882 ' ' LEU . 6.4 tt -61.32 -49.92 75.07 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.08 179.733 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1951 ' ' ILE . . . . . 0.466 ' HA ' HG12 ' A' 1872 ' ' VAL . 1.8 mp -61.38 -49.11 85.87 Favored 'Isoleucine or valine' 0 C--O 1.235 0.338 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.082 179.383 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1952 ' ' GLU . . . . . 0.562 ' O ' ' HG3' ' A' 1956 ' ' ARG . 45.8 mt-10 -64.4 -33.92 76.97 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.581 -176.846 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1953 ' ' CYS . . . . . . . . . . . . . 35.1 t -72.42 -45.97 57.22 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.731 0.3 . . . . 0.0 110.977 -179.701 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1954 ' ' ALA . . . . . . . . . . . . . . . -64.1 -43.0 96.69 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 112.042 0.386 . . . . 0.0 112.042 -175.312 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1955 ' ' ARG . . . . . 0.465 ' HG2' ' O ' ' A' 1951 ' ' ILE . 8.5 ptp180 -64.71 -24.14 67.47 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.724 0.297 . . . . 0.0 111.196 -179.003 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1956 ' ' ARG . . . . . 0.562 ' HG3' ' O ' ' A' 1952 ' ' GLU . 80.1 mtp180 -78.65 -47.91 16.1 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-O 120.783 0.325 . . . . 0.0 110.739 177.658 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1957 ' ' VAL . . . . . 0.518 ' O ' HG13 ' A' 1961 ' ' VAL . 14.9 m -68.32 -22.87 27.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.555 -174.916 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1958 ' ' SER . . . . . 0.523 ' O ' HG22 ' A' 1961 ' ' VAL . 48.4 t -63.57 -26.1 68.54 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.995 0.426 . . . . 0.0 110.357 177.15 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1959 ' ' GLU . . . . . . . . . . . . . 44.5 mm-40 -82.11 -34.18 29.37 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.043 0.449 . . . . 0.0 110.494 173.429 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1960 ' ' LYS . . . . . . . . . . . . . 34.0 mtpt -68.41 -29.51 68.21 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.26 -178.262 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1961 ' ' VAL . . . . . 0.801 HG21 ' HB2' ' A' 1865 ' ' ALA . 13.9 m -72.55 -33.93 46.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-O 121.202 0.525 . . . . 0.0 110.025 173.363 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1962 ' ' SER . . . . . 0.605 ' HA ' HD12 ' A' 1965 ' ' LEU . 23.5 t -68.94 -24.57 64.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.76 -0.655 . . . . 0.0 109.676 178.627 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1963 ' ' HIS . . . . . . . . . . . . . 55.1 m170 -70.52 -30.89 67.76 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.088 176.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1964 ' ' VAL . . . . . 0.542 HG11 HD11 ' A' 1896 ' ' LEU . 97.4 t -67.24 -46.24 84.48 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.296 0 N-CA-C 108.92 -0.77 . . . . 0.0 108.92 172.499 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1965 ' ' LEU . . . . . 0.605 HD12 ' HA ' ' A' 1962 ' ' SER . 59.9 mt -54.62 -50.23 68.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.049 -0.978 . . . . 0.0 110.7 178.616 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1966 ' ' ALA . . . . . . . . . . . . . . . -69.18 -40.61 78.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.847 -176.826 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1967 ' ' ALA . . . . . . . . . . . . . . . -60.09 -33.65 72.39 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.085 0.469 . . . . 0.0 111.294 -178.683 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1968 ' ' LEU . . . . . 0.887 HD11 ' HG3' ' A' 1857 ' ' MET . 51.7 mt -76.97 -18.08 58.46 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.452 -179.043 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1969 ' ' GLN . . . . . 0.464 ' HG3' ' O ' ' A' 1965 ' ' LEU . 76.7 mt-30 -94.46 8.93 40.39 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.856 0.36 . . . . 0.0 111.391 -175.528 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1970 ' ' ALA . . . . . . . . . . . . . . . -89.63 31.37 0.94 Allowed 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.548 -176.85 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1971 ' ' GLY . . . . . . . . . . . . . . . -81.11 -124.45 0.64 Allowed Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.999 -0.62 . . . . 0.0 112.739 -178.738 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1972 ' ' ASN . . . . . . . . . . . . . 28.0 t-20 -103.16 103.54 13.6 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.976 -0.379 . . . . 0.0 109.976 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1973 ' ' ARG . . . . . . . . . . . . . 21.3 mtp180 . . . . . 0 C--O 1.247 0.922 0 CA-C-O 118.711 -0.661 . . . . 0.0 110.266 -176.971 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A 1837 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.701 0 N-CA-C 112.161 -0.376 . . . . 0.0 112.161 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A 1838 ' ' ILE . . . . . . . . . . . . . 66.7 mt 60.04 94.22 0.04 OUTLIER 'Isoleucine or valine' 0 C--O 1.234 0.266 0 CA-C-O 121.32 0.581 . . . . 0.0 111.122 -178.835 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1839 ' ' ASP . . . . . 0.435 ' HA ' ' HD3' ' A' 1840 ' ' PRO . 8.7 p-10 -104.18 121.61 46.98 Favored Pre-proline 0 C--N 1.321 -0.649 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.626 179.304 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1840 ' ' PRO . . . . . 0.435 ' HD3' ' HA ' ' A' 1839 ' ' ASP . 14.6 Cg_exo -69.65 -37.2 9.75 Favored 'Trans proline' 0 C--N 1.343 0.242 0 C-N-CA 123.146 2.564 . . . . 0.0 112.215 179.837 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1841 ' ' PHE . . . . . . . . . . . . . 23.3 p90 -119.37 136.4 54.29 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.183 179.13 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1842 ' ' THR . . . . . . . . . . . . . 30.5 p -103.54 3.13 34.37 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.24 -171.572 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1843 ' ' MET . . . . . . . . . . . . . 25.7 mmt -128.85 124.93 36.56 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.487 -175.408 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1844 ' ' GLY . . . . . . . . . . . . . . . -100.51 -143.2 13.82 Favored Glycine 0 N--CA 1.445 -0.707 0 N-CA-C 110.142 -1.183 . . . . 0.0 110.142 168.419 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1845 ' ' ASP . . . . . 0.49 ' HB2' ' HG2' ' A' 1847 ' ' GLU . 3.1 p-10 -170.87 133.45 0.95 Allowed Pre-proline 0 C--N 1.326 -0.422 0 CA-C-N 117.307 0.553 . . . . 0.0 111.239 174.56 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1846 ' ' PRO . . . . . . . . . . . . . 84.2 Cg_endo -101.02 18.74 0.28 Allowed 'Trans proline' 0 N--CA 1.451 -0.974 0 C-N-CA 123.623 2.882 . . . . 0.0 111.017 168.747 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1847 ' ' GLU . . . . . 0.49 ' HG2' ' HB2' ' A' 1845 ' ' ASP . 13.5 pt-20 -123.54 40.61 3.68 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.518 -0.765 . . . . 0.0 111.131 -170.886 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1848 ' ' GLY . . . . . . . . . . . . . . . -108.91 23.62 23.29 Favored Glycine 0 N--CA 1.448 -0.515 0 C-N-CA 120.738 -0.744 . . . . 0.0 113.079 -178.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1849 ' ' SER . . . . . . . . . . . . . 21.6 t -102.42 -31.63 10.38 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.117 0.485 . . . . 0.0 110.109 177.223 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1850 ' ' PHE . . . . . . . . . . . . . 79.1 t80 -66.64 -20.9 66.09 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.393 178.134 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1851 ' ' VAL . . . . . . . . . . . . . 33.7 m -54.47 -34.9 29.76 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.336 0 N-CA-C 112.804 0.668 . . . . 0.0 112.804 -174.203 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1852 ' ' ASP . . . . . . . . . . . . . 25.7 t70 -68.98 -49.27 59.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.82 0.343 . . . . 0.0 110.735 -178.697 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1853 ' ' TYR . . . . . 0.52 ' O ' ' HG2' ' A' 1857 ' ' MET . 62.0 m-85 -62.21 -37.41 85.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.796 -0.638 . . . . 0.0 109.851 178.116 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1854 ' ' GLN . . . . . 0.601 ' HG3' ' HB3' ' A' 1968 ' ' LEU . 26.5 tt0 -56.1 -51.95 66.08 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.172 -0.922 . . . . 0.0 110.532 174.182 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1855 ' ' THR . . . . . 0.542 ' O ' ' HG2' ' A' 1859 ' ' ARG . 59.0 m -56.08 -44.81 79.34 Favored 'General case' 0 CA--C 1.531 0.235 0 CA-C-N 115.544 -0.753 . . . . 0.0 112.436 -173.583 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1856 ' ' THR . . . . . 0.479 HG23 ' N ' ' A' 1857 ' ' MET . 8.9 t -65.56 -49.4 69.01 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.967 0.413 . . . . 0.0 111.927 -175.274 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1857 ' ' MET . . . . . 0.557 ' HG3' ' CD1' ' A' 1968 ' ' LEU . 6.3 ptm -82.48 -18.69 40.78 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 112.578 0.584 . . . . 0.0 112.578 -172.016 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1858 ' ' VAL . . . . . 0.534 HG13 ' O ' ' A' 1854 ' ' GLN . 33.2 m -67.57 -38.73 81.04 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.305 0 C-N-CA 119.466 -0.894 . . . . 0.0 109.08 171.081 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1859 ' ' ARG . . . . . 0.542 ' HG2' ' O ' ' A' 1855 ' ' THR . 21.0 mmm180 -66.64 -43.92 83.33 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.026 -0.533 . . . . 0.0 109.925 177.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1860 ' ' THR . . . . . 0.478 ' O ' HG13 ' A' 1864 ' ' ILE . 62.3 m -64.37 -42.56 96.12 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.404 -0.816 . . . . 0.0 111.462 -178.487 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1861 ' ' ALA . . . . . . . . . . . . . . . -58.82 -41.35 86.64 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.94 0.4 . . . . 0.0 110.901 179.441 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1862 ' ' LYS . . . . . . . . . . . . . 48.0 mttm -66.04 -38.1 87.55 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.485 178.773 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1863 ' ' ALA . . . . . . . . . . . . . . . -67.47 -36.8 81.85 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.588 -179.575 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1864 ' ' ILE . . . . . 0.478 HG13 ' O ' ' A' 1860 ' ' THR . 70.7 mt -67.53 -43.96 86.84 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.058 175.598 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1865 ' ' ALA . . . . . 0.845 ' HB2' HG21 ' A' 1961 ' ' VAL . . . -57.26 -44.94 84.35 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.885 -178.785 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1866 ' ' VAL . . . . . 0.646 ' HA ' ' HG2' ' A' 1869 ' ' GLN . 10.0 p -71.99 -30.18 35.8 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 C-N-CA 120.564 -0.454 . . . . 0.0 110.603 179.648 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1867 ' ' THR . . . . . . . . . . . . . 97.1 m -69.31 -46.35 67.34 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.732 0.301 . . . . 0.0 110.867 178.577 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1868 ' ' VAL . . . . . . . . . . . . . 32.7 m -66.94 -32.19 56.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-O 120.788 0.328 . . . . 0.0 110.706 -179.369 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1869 ' ' GLN . . . . . 0.646 ' HG2' ' HA ' ' A' 1866 ' ' VAL . 3.0 pt20 -78.65 -27.94 45.34 Favored 'General case' 0 N--CA 1.45 -0.427 0 C-N-CA 120.782 -0.367 . . . . 0.0 110.396 178.693 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1870 ' ' GLU . . . . . . . . . . . . . 29.0 mt-10 -61.77 -37.54 84.71 Favored 'General case' 0 C--O 1.222 -0.347 0 N-CA-C 109.827 -0.435 . . . . 0.0 109.827 171.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1871 ' ' MET . . . . . 0.474 ' HB3' HD21 ' A' 1950 ' ' LEU . 8.1 mtt -55.44 -48.88 73.76 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.948 178.257 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1872 ' ' VAL . . . . . 1.001 ' HB ' HG13 ' A' 1951 ' ' ILE . 1.6 m -70.82 -29.1 36.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-O 121.489 0.661 . . . . 0.0 110.68 -177.347 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1873 ' ' THR . . . . . . . . . . . . . 49.7 m -80.28 -36.93 33.78 Favored 'General case' 0 N--CA 1.441 -0.898 0 CA-C-N 115.072 -0.967 . . . . 0.0 111.619 -177.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1874 ' ' LYS . . . . . . . . . . . . . 68.8 mmtt -74.28 -38.54 63.38 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.091 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1875 ' ' SER . . . . . 0.564 ' HB3' HD11 ' A' 1882 ' ' LEU . 3.9 p -61.53 -10.96 9.07 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 112.431 0.53 . . . . 0.0 112.431 -175.252 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1876 ' ' ASN . . . . . . . . . . . . . 13.7 m120 -61.85 -43.61 98.49 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.93 0.395 . . . . 0.0 110.61 175.285 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1877 ' ' THR . . . . . . . . . . . . . 43.5 p -130.81 -7.75 4.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 0.0 112.191 -174.837 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1878 ' ' SER . . . . . . . . . . . . . 36.2 m -142.25 105.15 5.58 Favored Pre-proline 0 C--N 1.322 -0.591 0 CA-C-N 116.566 -0.288 . . . . 0.0 111.304 -173.401 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1879 ' ' PRO . . . . . 0.829 ' HA ' HD12 ' A' 1882 ' ' LEU . 30.7 Cg_endo -90.88 -24.28 0.46 Allowed 'Trans proline' 0 N--CA 1.448 -1.195 0 C-N-CA 121.705 1.603 . . . . 0.0 112.797 176.356 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1880 ' ' GLU . . . . . . . . . . . . . 44.0 mm-40 -73.09 -30.66 63.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.763 0.316 . . . . 0.0 110.746 -178.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1881 ' ' GLU . . . . . . . . . . . . . 36.8 mm-40 -65.09 -15.18 62.09 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.394 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1882 ' ' LEU . . . . . 0.829 HD12 ' HA ' ' A' 1879 ' ' PRO . 1.0 OUTLIER -78.97 -14.14 59.38 Favored 'General case' 0 N--CA 1.44 -0.926 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.052 -177.553 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A 1883 ' ' GLY . . . . . . . . . . . . . . . -62.25 -60.34 8.08 Favored Glycine 0 CA--C 1.52 0.396 0 C-N-CA 120.918 -0.658 . . . . 0.0 111.898 175.307 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1884 ' ' PRO . . . . . . . . . . . . . 34.8 Cg_exo -58.86 -39.63 79.65 Favored 'Trans proline' 0 C--N 1.349 0.586 0 C-N-CA 122.64 2.227 . . . . 0.0 112.241 174.816 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1885 ' ' LEU . . . . . 0.411 HD23 ' HA ' ' A' 1885 ' ' LEU . 48.2 mt -61.38 -34.95 76.18 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-N 116.597 -0.274 . . . . 0.0 111.312 -179.529 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1886 ' ' ALA . . . . . 0.496 ' HB1' ' HB ' ' A' 1931 ' ' VAL . . . -64.7 -43.46 93.42 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.959 0.409 . . . . 0.0 110.524 177.147 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1887 ' ' ASN . . . . . . . . . . . . . 92.6 m-20 -66.68 -40.27 88.47 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.154 -0.475 . . . . 0.0 109.87 177.279 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1888 ' ' GLN . . . . . . . . . . . . . 53.8 tp60 -58.28 -50.88 72.02 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.39 -0.823 . . . . 0.0 110.974 178.305 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1889 ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -54.99 -52.33 63.43 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 177.356 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1890 ' ' THR . . . . . . . . . . . . . 79.2 m -55.12 -42.11 72.54 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 114.849 -1.069 . . . . 0.0 111.763 -179.646 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1891 ' ' SER . . . . . . . . . . . . . 32.4 m -65.5 -48.69 71.72 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.2 -177.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1892 ' ' ASP . . . . . 0.402 ' HB3' HG12 ' A' 1864 ' ' ILE . 0.4 OUTLIER -71.54 -35.07 70.54 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.563 -0.29 . . . . 0.0 111.437 -178.125 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A 1893 ' ' TYR . . . . . . . . . . . . . 20.9 t80 -58.93 -43.54 91.18 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 110.091 -0.337 . . . . 0.0 110.091 173.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1894 ' ' GLY . . . . . 0.456 ' O ' ' HB2' ' A' 1898 ' ' SER . . . -58.59 -33.85 73.81 Favored Glycine 0 N--CA 1.449 -0.459 0 C-N-CA 121.047 -0.597 . . . . 0.0 112.013 178.048 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1895 ' ' ARG . . . . . . . . . . . . . 45.4 ttm180 -73.85 -45.86 48.48 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.846 0.355 . . . . 0.0 110.206 178.591 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1896 ' ' LEU . . . . . 0.664 HD11 HG11 ' A' 1964 ' ' VAL . 46.1 tp -60.67 -49.72 76.39 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.805 179.262 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1897 ' ' ALA . . . . . . . . . . . . . . . -65.26 -23.07 66.95 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.217 -179.377 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1898 ' ' SER . . . . . 0.456 ' HB2' ' O ' ' A' 1894 ' ' GLY . 9.1 t -79.39 -36.21 39.51 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 109.581 -0.526 . . . . 0.0 109.581 -177.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1899 ' ' GLN . . . . . 0.487 ' HA ' ' OE1' ' A' 1899 ' ' GLN . 8.1 mm-40 -76.33 -13.8 60.13 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.728 179.502 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1900 ' ' ALA . . . . . . . . . . . . . . . -67.93 -22.87 65.04 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.98 178.271 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1901 ' ' LYS . . . . . 0.661 ' HB3' ' HD3' ' A' 1902 ' ' PRO . 11.3 tmtt? -75.08 -57.43 1.76 Allowed Pre-proline 0 CA--C 1.541 0.616 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.861 -178.386 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1902 ' ' PRO . . . . . 0.661 ' HD3' ' HB3' ' A' 1901 ' ' LYS . 15.1 Cg_exo -67.81 -29.5 35.19 Favored 'Trans proline' 0 C--N 1.357 1.013 0 C-N-CA 122.08 1.853 . . . . 0.0 112.239 -178.83 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1903 ' ' ALA . . . . . . . . . . . . . . . -69.12 -34.13 74.56 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.791 179.383 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1904 ' ' ALA . . . . . . . . . . . . . . . -78.14 -38.01 44.77 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.053 -177.804 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1905 ' ' VAL . . . . . 0.527 HG22 ' HA ' ' A' 1902 ' ' PRO . 21.9 m -74.3 -26.55 20.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.365 -177.305 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1906 ' ' ALA . . . . . . . . . . . . . . . -96.94 -3.67 41.35 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.661 0.267 . . . . 0.0 111.04 179.109 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1907 ' ' ALA . . . . . . . . . . . . . . . -57.56 122.01 11.7 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.542 -177.28 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1908 ' ' GLU . . . . . 0.569 ' HB2' HD21 ' A' 1972 ' ' ASN . 55.9 mp0 -66.31 -18.81 65.58 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.553 -0.749 . . . . 0.0 111.389 -179.511 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1909 ' ' ASN . . . . . 0.73 ' HB3' HG13 ' A' 1912 ' ' ILE . 18.9 t-20 -127.71 154.65 45.08 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.735 -171.063 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1910 ' ' GLU . . . . . . . . . . . . . 15.1 tp10 -56.47 -51.3 68.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.625 177.027 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1911 ' ' GLU . . . . . 0.517 ' HB3' ' CD2' ' A' 1915 ' ' HIS . 7.7 mt-10 -77.14 -31.47 55.69 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.604 -0.726 . . . . 0.0 112.247 -172.197 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1912 ' ' ILE . . . . . 0.73 HG13 ' HB3' ' A' 1909 ' ' ASN . 86.1 mt -52.58 -53.57 19.64 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.351 0 CA-C-O 120.738 0.304 . . . . 0.0 110.526 -179.795 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1913 ' ' GLY . . . . . . . . . . . . . . . -73.48 -29.21 64.21 Favored Glycine 0 N--CA 1.449 -0.477 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.381 -179.426 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1914 ' ' ALA . . . . . . . . . . . . . . . -69.09 -50.88 44.22 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 110.306 -0.257 . . . . 0.0 110.306 -178.546 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1915 ' ' HIS . . . . . 0.619 ' O ' ' HG2' ' A' 1919 ' ' ARG . 76.5 m-70 -56.71 -43.81 80.95 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.964 -177.227 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1916 ' ' ILE . . . . . . . . . . . . . 93.2 mt -55.47 -58.26 5.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.236 179.793 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1917 ' ' LYS . . . . . . . . . . . . . 55.3 mtmt -66.15 -24.66 66.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.338 -178.287 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1918 ' ' HIS . . . . . . . . . . . . . 2.2 m80 -73.5 -39.85 64.53 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.001 0.429 . . . . 0.0 111.09 177.209 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1919 ' ' ARG . . . . . 0.619 ' HG2' ' O ' ' A' 1915 ' ' HIS . 27.2 mmt180 -81.27 -36.44 29.89 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.286 -0.416 . . . . 0.0 112.063 -173.881 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1920 ' ' VAL . . . . . . . . . . . . . 20.8 m -68.84 -23.84 27.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 121.215 0.531 . . . . 0.0 109.844 175.804 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1921 ' ' GLN . . . . . . . . . . . . . 24.0 tm0? -67.71 -35.22 78.38 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.6 -0.727 . . . . 0.0 109.974 177.211 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1922 ' ' GLU . . . . . 0.639 ' HB3' ' HD3' ' A' 1960 ' ' LYS . 45.9 mt-10 -62.26 -48.59 79.27 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.706 0.765 . . . . 0.0 109.794 174.274 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1923 ' ' LEU . . . . . 0.644 ' HG ' ' SG ' ' A' 1927 ' ' CYS . 20.1 tp -65.35 -28.81 69.55 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 114.767 -1.106 . . . . 0.0 111.231 -174.502 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1924 ' ' GLY . . . . . . . . . . . . . . . -54.83 -51.53 52.48 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 121.239 -0.505 . . . . 0.0 112.794 -179.438 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1925 ' ' HIS . . . . . . . . . . . . . 32.5 m170 -70.67 -34.95 72.55 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.812 0.339 . . . . 0.0 110.52 179.562 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1926 ' ' GLY . . . . . 0.423 ' O ' ' HB2' ' A' 1930 ' ' LEU . . . -63.3 -43.2 98.79 Favored Glycine 0 N--CA 1.448 -0.512 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.254 179.441 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1927 ' ' CYS . . . . . 0.644 ' SG ' ' HG ' ' A' 1923 ' ' LEU . 75.6 m -65.46 -46.29 80.39 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.351 0.12 . . . . 0.0 111.175 -178.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1928 ' ' SER . . . . . . . . . . . . . 28.8 p -64.29 -37.65 88.23 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.817 0.341 . . . . 0.0 110.932 -177.16 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1929 ' ' ALA . . . . . . . . . . . . . . . -70.64 -45.54 64.98 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.68 177.556 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1930 ' ' LEU . . . . . 0.423 ' HB2' ' O ' ' A' 1926 ' ' GLY . 0.4 OUTLIER -62.57 -50.3 71.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.432 -177.19 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A 1931 ' ' VAL . . . . . 0.496 ' HB ' ' HB1' ' A' 1886 ' ' ALA . 26.6 m -64.25 -28.02 43.98 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.172 0 CA-C-O 120.866 0.365 . . . . 0.0 111.196 -176.527 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1932 ' ' THR . . . . . . . . . . . . . 75.0 m -71.22 -42.03 69.45 Favored 'General case' 0 N--CA 1.451 -0.391 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.417 176.449 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1933 ' ' LYS . . . . . . . . . . . . . 32.9 mmtp -73.36 -26.96 61.23 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.888 179.163 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1934 ' ' ALA . . . . . . . . . . . . . . . -61.01 -50.15 74.54 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.147 0.499 . . . . 0.0 109.97 174.152 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1935 ' ' GLY . . . . . 0.49 ' O ' ' HG3' ' A' 1938 ' ' GLN . . . -69.7 -30.45 70.67 Favored Glycine 0 N--CA 1.447 -0.596 0 CA-C-N 115.616 -0.72 . . . . 0.0 112.115 177.098 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1936 ' ' ALA . . . . . . . . . . . . . . . -69.66 -39.62 76.96 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.743 0.306 . . . . 0.0 110.93 179.432 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1937 ' ' LEU . . . . . . . . . . . . . 64.9 tp -69.43 -34.26 74.17 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.319 -178.051 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1938 ' ' GLN . . . . . 0.655 ' HB3' ' O ' ' A' 1879 ' ' PRO . 0.0 OUTLIER -72.32 -25.69 61.66 Favored 'General case' 0 C--N 1.321 -0.64 0 C-N-CA 119.649 -0.821 . . . . 0.0 110.505 177.303 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A 1939 ' ' CYS . . . . . . . . . . . . . 74.7 m -76.19 -33.44 59.29 Favored 'General case' 0 CA--C 1.532 0.258 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.802 173.282 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1940 ' ' SER . . . . . . . . . . . . . 33.1 m -129.21 78.61 75.75 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 120.829 0.347 . . . . 0.0 110.536 177.837 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1941 ' ' PRO . . . . . 0.531 ' HB3' ' HG3' ' A' 1879 ' ' PRO . 7.1 Cg_exo -74.81 -24.53 13.16 Favored 'Trans proline' 0 C--N 1.342 0.233 0 C-N-CA 123.179 2.586 . . . . 0.0 112.95 -173.596 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1942 ' ' SER . . . . . . . . . . . . . 20.4 m -84.71 -15.29 45.7 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.762 -177.542 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1943 ' ' ASP . . . . . . . . . . . . . 36.4 t70 -81.65 112.44 18.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.009 -179.711 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1944 ' ' VAL . . . . . . . . . . . . . 8.0 p -71.07 -28.25 32.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.972 -176.204 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1945 ' ' TYR . . . . . 0.425 ' O ' ' HG3' ' A' 1949 ' ' GLU . 95.3 m-85 -69.78 -42.23 74.08 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 111.748 0.277 . . . . 0.0 111.748 -173.817 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1946 ' ' THR . . . . . . . . . . . . . 91.8 m -57.95 -40.24 80.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.17 0.509 . . . . 0.0 110.102 173.389 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1947 ' ' LYS . . . . . 0.434 ' HE2' ' HB3' ' A' 1947 ' ' LYS . 32.4 ttpt -66.43 -45.97 78.08 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.544 177.783 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1948 ' ' LYS . . . . . 0.506 ' O ' ' HG3' ' A' 1952 ' ' GLU . 0.0 OUTLIER -53.38 -53.25 53.89 Favored 'General case' 0 CA--C 1.519 -0.242 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.585 -179.95 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A 1949 ' ' GLU . . . . . 0.425 ' HG3' ' O ' ' A' 1945 ' ' TYR . 35.1 mt-10 -55.76 -38.45 69.86 Favored 'General case' 0 C--O 1.225 -0.192 0 O-C-N 123.73 0.643 . . . . 0.0 111.191 -177.786 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1950 ' ' LEU . . . . . 0.688 HD11 HD22 ' A' 1882 ' ' LEU . 9.7 tt -63.1 -48.84 76.87 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.503 -179.863 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1951 ' ' ILE . . . . . 1.001 HG13 ' HB ' ' A' 1872 ' ' VAL . 1.8 mp -63.04 -40.53 89.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 121.092 0.472 . . . . 0.0 110.027 177.618 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1952 ' ' GLU . . . . . 0.574 ' O ' ' HG3' ' A' 1956 ' ' ARG . 43.4 mt-10 -69.43 -22.48 63.67 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.576 -179.035 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1953 ' ' CYS . . . . . . . . . . . . . 63.8 m -80.16 -43.97 20.68 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.3 177.404 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1954 ' ' ALA . . . . . 0.438 ' HA ' HG22 ' A' 1957 ' ' VAL . . . -59.61 -41.69 90.95 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.099 -179.034 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1955 ' ' ARG . . . . . 0.407 ' HG3' ' O ' ' A' 1952 ' ' GLU . 0.0 OUTLIER -63.01 -24.44 67.92 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.835 0.35 . . . . 0.0 110.949 179.878 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A 1956 ' ' ARG . . . . . 0.574 ' HG3' ' O ' ' A' 1952 ' ' GLU . 97.8 mtt180 -76.29 -48.59 19.62 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.185 0.517 . . . . 0.0 109.883 177.566 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1957 ' ' VAL . . . . . 0.593 ' O ' HG13 ' A' 1961 ' ' VAL . 13.0 m -74.2 -27.87 22.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.833 -0.622 . . . . 0.0 111.868 -173.371 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1958 ' ' SER . . . . . 0.581 ' O ' HG22 ' A' 1961 ' ' VAL . 14.9 m -65.31 -24.62 67.32 Favored 'General case' 0 CA--C 1.531 0.232 0 CA-C-O 121.198 0.523 . . . . 0.0 110.365 179.902 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1959 ' ' GLU . . . . . . . . . . . . . 28.0 mm-40 -80.24 -35.07 36.64 Favored 'General case' 0 CA--C 1.517 -0.326 0 N-CA-C 109.919 -0.4 . . . . 0.0 109.919 173.474 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1960 ' ' LYS . . . . . 0.639 ' HD3' ' HB3' ' A' 1922 ' ' GLU . 67.6 mttm -66.44 -35.11 79.47 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.553 -179.358 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1961 ' ' VAL . . . . . 0.845 HG21 ' HB2' ' A' 1865 ' ' ALA . 3.8 m -67.07 -34.41 69.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 N-CA-C 109.548 -0.538 . . . . 0.0 109.548 174.734 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1962 ' ' SER . . . . . 0.588 ' HA ' HD12 ' A' 1965 ' ' LEU . 35.5 m -73.33 -25.16 60.51 Favored 'General case' 0 N--CA 1.453 -0.319 0 CA-C-N 115.627 -0.715 . . . . 0.0 109.881 178.497 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1963 ' ' HIS . . . . . 0.607 ' HB3' ' HD2' ' A' 1919 ' ' ARG . 63.6 m170 -69.31 -35.08 75.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.179 176.087 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1964 ' ' VAL . . . . . 0.664 HG11 HD11 ' A' 1896 ' ' LEU . 66.5 t -65.75 -44.86 93.05 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.251 0 N-CA-C 108.888 -0.782 . . . . 0.0 108.888 174.511 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1965 ' ' LEU . . . . . 0.588 HD12 ' HA ' ' A' 1962 ' ' SER . 83.0 mt -55.53 -49.67 72.02 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.369 -0.832 . . . . 0.0 110.679 177.439 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1966 ' ' ALA . . . . . . . . . . . . . . . -63.01 -26.83 69.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.697 -179.532 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1967 ' ' ALA . . . . . . . . . . . . . . . -78.72 -34.86 45.64 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.075 0.464 . . . . 0.0 110.932 179.199 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1968 ' ' LEU . . . . . 0.601 ' HB3' ' HG3' ' A' 1854 ' ' GLN . 45.8 mt -79.05 -38.81 35.55 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.804 -0.634 . . . . 0.0 111.194 -176.236 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1969 ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -76.92 3.8 11.31 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.291 176.452 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1970 ' ' ALA . . . . . . . . . . . . . . . -86.49 151.47 23.48 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.073 176.54 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1971 ' ' GLY . . . . . . . . . . . . . . . -137.84 -153.59 6.34 Favored Glycine 0 N--CA 1.446 -0.642 0 C-N-CA 120.36 -0.924 . . . . 0.0 112.314 -177.839 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1972 ' ' ASN . . . . . 0.569 HD21 ' HB2' ' A' 1908 ' ' GLU . 34.1 m-80 -98.71 4.41 47.83 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.972 0.415 . . . . 0.0 110.723 179.345 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1973 ' ' ARG . . . . . 0.448 HH11 ' HD3' ' A' 1973 ' ' ARG . 38.5 mtt-85 . . . . . 0 C--O 1.249 1.04 0 CA-C-O 118.425 -0.797 . . . . 0.0 110.17 -175.727 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1837 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.652 0 N-CA-C 111.918 -0.473 . . . . 0.0 111.918 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A 1838 ' ' ILE . . . . . . . . . . . . . 67.1 mt -82.44 101.55 7.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-O 121.007 0.432 . . . . 0.0 110.364 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1839 ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -101.0 152.84 37.95 Favored Pre-proline 0 C--N 1.32 -0.697 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.371 178.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1840 ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -71.97 1.32 6.0 Favored 'Trans proline' 0 N--CA 1.465 -0.186 0 C-N-CA 122.85 2.366 . . . . 0.0 111.841 179.117 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1841 ' ' PHE . . . . . . . . . . . . . 56.9 m-85 -103.29 -10.0 19.06 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.667 -0.697 . . . . 0.0 109.923 177.442 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1842 ' ' THR . . . . . . . . . . . . . 38.7 p -118.72 99.24 6.66 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.255 179.079 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1843 ' ' MET . . . . . 0.63 ' SD ' ' HA ' ' A' 1849 ' ' SER . 19.7 mmt -83.03 136.51 34.47 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 120.817 0.342 . . . . 0.0 110.513 -176.697 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1844 ' ' GLY . . . . . 0.791 ' H ' HG11 ' A' 1851 ' ' VAL . . . -71.89 -26.43 72.66 Favored Glycine 0 N--CA 1.45 -0.416 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.972 177.708 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1845 ' ' ASP . . . . . 0.407 ' OD2' HG13 ' A' 1851 ' ' VAL . 3.6 p30 -101.97 154.76 37.13 Favored Pre-proline 0 C--N 1.325 -0.495 0 N-CA-C 109.221 -0.659 . . . . 0.0 109.221 175.079 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1846 ' ' PRO . . . . . . . . . . . . . 83.4 Cg_endo -95.22 12.95 1.37 Allowed 'Trans proline' 0 N--CA 1.452 -0.912 0 C-N-CA 122.686 2.258 . . . . 0.0 113.165 -178.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1847 ' ' GLU . . . . . 0.486 ' CB ' ' HG2' ' A' 1908 ' ' GLU . 6.3 pt-20 -110.42 -15.69 13.87 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 112.582 0.586 . . . . 0.0 112.582 -173.471 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1848 ' ' GLY . . . . . . . . . . . . . . . 160.74 -148.22 16.02 Favored Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 120.247 -0.978 . . . . 0.0 113.055 173.88 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1849 ' ' SER . . . . . 0.63 ' HA ' ' SD ' ' A' 1843 ' ' MET . 5.0 p -92.03 33.24 1.07 Allowed 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.361 0.601 . . . . 0.0 110.547 179.715 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1850 ' ' PHE . . . . . . . . . . . . . 72.4 t80 -63.5 -26.55 68.76 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.357 -0.838 . . . . 0.0 110.74 -176.445 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1851 ' ' VAL . . . . . 0.791 HG11 ' H ' ' A' 1844 ' ' GLY . 35.4 m -54.83 -37.6 41.42 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.182 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.995 178.529 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1852 ' ' ASP . . . . . . . . . . . . . 31.7 t70 -72.5 -51.76 18.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.768 0.318 . . . . 0.0 110.425 -177.013 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1853 ' ' TYR . . . . . 0.42 ' O ' ' HG2' ' A' 1857 ' ' MET . 75.1 m-85 -61.0 -40.83 95.0 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.953 179.824 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1854 ' ' GLN . . . . . 0.864 ' HG3' ' HB3' ' A' 1968 ' ' LEU . 6.4 tt0 -56.03 -60.25 3.75 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.812 0.339 . . . . 0.0 110.374 176.27 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1855 ' ' THR . . . . . 0.669 ' O ' ' HG2' ' A' 1859 ' ' ARG . 17.3 m -59.25 -45.96 89.77 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.615 -175.83 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1856 ' ' THR . . . . . . . . . . . . . 2.9 t -63.37 -45.8 89.48 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.846 -172.663 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1857 ' ' MET . . . . . 0.637 ' HB2' HD12 ' A' 1896 ' ' LEU . 22.6 ptm -82.63 -25.3 33.27 Favored 'General case' 0 C--N 1.329 -0.306 0 O-C-N 122.028 -0.42 . . . . 0.0 111.669 -172.501 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1858 ' ' VAL . . . . . 0.469 HG13 ' O ' ' A' 1854 ' ' GLN . 25.7 m -71.45 -31.15 42.06 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.108 0 C-N-CA 119.773 -0.771 . . . . 0.0 109.667 174.515 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1859 ' ' ARG . . . . . 0.669 ' HG2' ' O ' ' A' 1855 ' ' THR . 22.6 mmt180 -68.64 -35.24 77.01 Favored 'General case' 0 C--N 1.333 -0.148 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 173.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1860 ' ' THR . . . . . . . . . . . . . 29.4 m -68.71 -39.51 80.43 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.266 -0.879 . . . . 0.0 110.516 177.805 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1861 ' ' ALA . . . . . 0.414 ' HB1' ' HB ' ' A' 1961 ' ' VAL . . . -62.68 -37.24 85.65 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.085 0.469 . . . . 0.0 110.607 177.218 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1862 ' ' LYS . . . . . 0.428 ' HD2' ' HA ' ' A' 1859 ' ' ARG . 53.8 mttm -66.18 -37.18 84.99 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.415 176.478 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1863 ' ' ALA . . . . . . . . . . . . . . . -63.4 -39.7 95.21 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.208 0.527 . . . . 0.0 110.4 175.767 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1864 ' ' ILE . . . . . 0.637 ' O ' HG13 ' A' 1868 ' ' VAL . 79.6 mt -63.56 -48.41 87.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.031 174.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1865 ' ' ALA . . . . . 0.868 ' HB2' HG21 ' A' 1961 ' ' VAL . . . -57.43 -41.68 80.93 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.92 -0.582 . . . . 0.0 112.376 -177.469 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1866 ' ' VAL . . . . . 0.443 ' O ' ' HG3' ' A' 1870 ' ' GLU . 13.5 p -72.46 -33.15 44.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 C-N-CA 120.644 -0.422 . . . . 0.0 110.361 179.231 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1867 ' ' THR . . . . . 0.652 ' O ' ' HG3' ' A' 1871 ' ' MET . 97.3 m -64.77 -51.44 62.25 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.694 -0.23 . . . . 0.0 110.805 178.224 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1868 ' ' VAL . . . . . 0.637 HG13 ' O ' ' A' 1864 ' ' ILE . 3.2 m -60.5 -29.57 44.81 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.286 0 CA-C-O 121.706 0.765 . . . . 0.0 110.079 -179.319 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1869 ' ' GLN . . . . . . . . . . . . . 7.4 tp-100 -77.34 -33.63 55.36 Favored 'General case' 0 N--CA 1.424 -1.762 0 CA-C-N 114.731 -1.122 . . . . 0.0 110.004 -178.396 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1870 ' ' GLU . . . . . 0.547 ' O ' ' HG2' ' A' 1874 ' ' LYS . 47.8 mt-10 -70.17 -38.72 75.47 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.115 172.682 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1871 ' ' MET . . . . . 0.652 ' HG3' ' O ' ' A' 1867 ' ' THR . 64.5 mtp -57.88 -43.04 85.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.059 -178.157 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1872 ' ' VAL . . . . . 0.55 HG12 ' HA ' ' A' 1951 ' ' ILE . 32.1 m -74.25 -28.85 23.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.801 0.334 . . . . 0.0 111.212 179.05 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1873 ' ' THR . . . . . . . . . . . . . 78.8 m -71.79 -48.71 44.7 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.433 178.202 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1874 ' ' LYS . . . . . 0.547 ' HG2' ' O ' ' A' 1870 ' ' GLU . 75.6 mmtt -66.41 -42.29 88.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.68 -175.827 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1875 ' ' SER . . . . . 0.647 ' HB3' HD11 ' A' 1882 ' ' LEU . 6.2 p -56.56 -14.24 3.0 Favored 'General case' 0 N--CA 1.468 0.461 0 N-CA-C 113.177 0.806 . . . . 0.0 113.177 -171.836 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1876 ' ' ASN . . . . . . . . . . . . . 52.3 m-80 -58.83 -46.33 87.94 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.78 0.324 . . . . 0.0 110.437 174.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1877 ' ' THR . . . . . . . . . . . . . 76.8 p -124.73 -23.89 4.25 Favored 'General case' 0 CA--C 1.534 0.355 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.959 -178.289 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1878 ' ' SER . . . . . 0.466 ' HB2' ' HB3' ' A' 1874 ' ' LYS . 70.5 m -109.27 98.92 33.86 Favored Pre-proline 0 C--N 1.325 -0.471 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.666 -174.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1879 ' ' PRO . . . . . 0.866 ' HA ' HD12 ' A' 1882 ' ' LEU . 33.1 Cg_endo -96.48 -18.88 0.25 Allowed 'Trans proline' 0 N--CA 1.442 -1.51 0 C-N-CA 121.985 1.79 . . . . 0.0 112.295 172.195 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1880 ' ' GLU . . . . . 0.412 ' HA ' ' HG3' ' A' 1938 ' ' GLN . 36.9 mt-10 -80.14 -43.81 20.99 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 121.014 0.435 . . . . 0.0 109.98 178.659 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1881 ' ' GLU . . . . . . . . . . . . . 26.6 tt0 -59.38 -14.61 12.56 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.36 -0.836 . . . . 0.0 111.345 178.581 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1882 ' ' LEU . . . . . 0.866 HD12 ' HA ' ' A' 1879 ' ' PRO . 5.8 mt -70.78 -16.86 62.78 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.287 -0.87 . . . . 0.0 112.112 -179.276 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1883 ' ' GLY . . . . . . . . . . . . . . . -62.95 -60.59 7.44 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.68 -0.771 . . . . 0.0 111.983 176.745 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1884 ' ' PRO . . . . . . . . . . . . . 61.1 Cg_exo -51.92 -44.7 43.45 Favored 'Trans proline' 0 C--N 1.348 0.502 0 C-N-CA 122.594 2.196 . . . . 0.0 112.439 174.652 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1885 ' ' LEU . . . . . 0.536 HD11 ' HG3' ' A' 1874 ' ' LYS . 65.0 mt -60.75 -44.22 96.98 Favored 'General case' 0 C--N 1.332 -0.165 0 N-CA-C 111.893 0.331 . . . . 0.0 111.893 -177.648 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1886 ' ' ALA . . . . . . . . . . . . . . . -61.96 -46.69 88.2 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.086 0.47 . . . . 0.0 110.818 179.632 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1887 ' ' ASN . . . . . . . . . . . . . 43.3 m-80 -68.54 -27.09 65.78 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.682 178.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1888 ' ' GLN . . . . . . . . . . . . . 27.9 tp60 -68.64 -47.08 67.51 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.144 178.056 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1889 ' ' LEU . . . . . 0.506 HD22 ' SG ' ' A' 1927 ' ' CYS . 1.0 OUTLIER -58.29 -45.24 88.31 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.162 -0.681 . . . . 0.0 109.162 175.883 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A 1890 ' ' THR . . . . . . . . . . . . . 33.1 m -57.85 -43.65 86.02 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.229 -0.896 . . . . 0.0 111.249 179.703 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1891 ' ' SER . . . . . . . . . . . . . 29.1 t -62.41 -55.24 29.7 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.589 -178.102 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1892 ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -66.63 -35.27 79.77 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 111.85 0.315 . . . . 0.0 111.85 -175.328 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1893 ' ' TYR . . . . . . . . . . . . . 50.6 t80 -60.55 -37.51 81.49 Favored 'General case' 0 C--N 1.332 -0.19 0 C-N-CA 120.401 -0.519 . . . . 0.0 110.582 177.281 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1894 ' ' GLY . . . . . . . . . . . . . . . -57.85 -41.32 94.05 Favored Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 120.772 -0.728 . . . . 0.0 111.699 178.111 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1895 ' ' ARG . . . . . . . . . . . . . 77.8 ttt180 -66.37 -44.93 81.78 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.957 0.408 . . . . 0.0 110.399 177.032 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1896 ' ' LEU . . . . . 0.637 HD12 ' HB2' ' A' 1857 ' ' MET . 53.4 tp -56.84 -53.36 58.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.745 -0.661 . . . . 0.0 111.035 178.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1897 ' ' ALA . . . . . . . . . . . . . . . -64.57 -23.39 67.25 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.966 -179.515 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1898 ' ' SER . . . . . . . . . . . . . 47.0 t -76.85 -37.81 54.91 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.184 -178.129 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1899 ' ' GLN . . . . . . . . . . . . . 25.5 mm-40 -77.01 -21.27 54.9 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.88 0.371 . . . . 0.0 110.383 179.495 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1900 ' ' ALA . . . . . . . . . . . . . . . -64.28 -31.81 73.15 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.671 -0.695 . . . . 0.0 111.618 -179.157 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1901 ' ' LYS . . . . . 0.674 ' HB3' ' HD3' ' A' 1902 ' ' PRO . 2.0 tmtp? -71.29 -58.17 4.09 Favored Pre-proline 0 CA--C 1.54 0.572 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.261 -175.45 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1902 ' ' PRO . . . . . 0.674 ' HD3' ' HB3' ' A' 1901 ' ' LYS . 11.3 Cg_exo -71.39 -17.45 30.58 Favored 'Trans proline' 0 C--N 1.353 0.805 0 C-N-CA 122.087 1.858 . . . . 0.0 112.197 -177.42 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1903 ' ' ALA . . . . . . . . . . . . . . . -74.61 -35.02 62.94 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.979 0.419 . . . . 0.0 110.347 176.521 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1904 ' ' ALA . . . . . . . . . . . . . . . -73.15 -29.85 63.16 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.658 -177.366 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1905 ' ' VAL . . . . . 0.577 HG22 ' HA ' ' A' 1902 ' ' PRO . 32.6 m -89.93 -12.74 9.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.993 179.166 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1906 ' ' ALA . . . . . . . . . . . . . . . -82.72 -45.18 14.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.27 -0.423 . . . . 0.0 109.912 176.818 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1907 ' ' ALA . . . . . . . . . . . . . . . -67.77 131.29 45.27 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.635 178.427 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1908 ' ' GLU . . . . . 0.486 ' HG2' ' CB ' ' A' 1847 ' ' GLU . 10.1 pt-20 -91.55 -23.7 19.84 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.46 -178.786 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1909 ' ' ASN . . . . . . . . . . . . . 95.0 m-20 -74.66 135.84 41.92 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.929 -0.397 . . . . 0.0 109.929 177.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1910 ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -56.33 -53.81 52.86 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.483 -0.78 . . . . 0.0 112.617 -170.632 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1911 ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 -72.73 -32.03 65.39 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 112.783 0.661 . . . . 0.0 112.783 -171.502 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1912 ' ' ILE . . . . . 0.528 ' O ' HG13 ' A' 1916 ' ' ILE . 48.6 mt -54.15 -53.99 24.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 C-N-CA 120.741 -0.384 . . . . 0.0 110.513 -179.535 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1913 ' ' GLY . . . . . . . . . . . . . . . -69.79 -27.17 73.54 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.433 -179.283 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1914 ' ' ALA . . . . . . . . . . . . . . . -73.31 -47.52 41.99 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.56 0.219 . . . . 0.0 110.738 -179.038 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1915 ' ' HIS . . . . . 0.453 ' O ' ' HG2' ' A' 1919 ' ' ARG . 71.4 m-70 -59.11 -41.96 89.39 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.122 -177.668 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1916 ' ' ILE . . . . . 0.528 HG13 ' O ' ' A' 1912 ' ' ILE . 81.4 mt -53.93 -59.25 2.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.398 -178.683 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1917 ' ' LYS . . . . . 0.489 ' HA ' HG22 ' A' 1920 ' ' VAL . 8.8 mtmp? -67.88 -27.98 67.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.139 -177.179 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1918 ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -67.18 -39.79 86.46 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.084 177.337 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1919 ' ' ARG . . . . . 0.5 ' CD ' ' HB3' ' A' 1963 ' ' HIS . 29.9 mmt180 -81.53 -34.25 31.31 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 112.095 0.406 . . . . 0.0 112.095 -175.281 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1920 ' ' VAL . . . . . 0.489 HG22 ' HA ' ' A' 1917 ' ' LYS . 33.2 m -68.61 -24.35 29.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 C-N-CA 120.385 -0.526 . . . . 0.0 110.111 176.829 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1921 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.59 -41.0 98.38 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 115.971 -0.558 . . . . 0.0 109.536 175.059 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1922 ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -61.83 -46.36 89.83 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.392 177.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1923 ' ' LEU . . . . . 0.452 HD11 ' HA ' ' A' 1961 ' ' VAL . 19.9 mt -67.72 -23.31 65.25 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.109 178.765 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1924 ' ' GLY . . . . . . . . . . . . . . . -60.48 -51.89 55.96 Favored Glycine 0 N--CA 1.449 -0.45 0 C-N-CA 120.737 -0.744 . . . . 0.0 111.581 175.045 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1925 ' ' HIS . . . . . . . . . . . . . 31.5 m80 -72.63 -28.08 62.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.751 0.31 . . . . 0.0 110.736 178.062 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1926 ' ' GLY . . . . . . . . . . . . . . . -70.68 -46.12 48.71 Favored Glycine 0 N--CA 1.449 -0.456 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.27 178.754 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1927 ' ' CYS . . . . . 0.506 ' SG ' HD22 ' A' 1889 ' ' LEU . 43.7 t -62.1 -50.21 72.85 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.602 0.239 . . . . 0.0 110.421 178.853 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1928 ' ' SER . . . . . 0.426 ' HA ' HG22 ' A' 1931 ' ' VAL . 10.8 p -61.19 -38.61 87.15 Favored 'General case' 0 N--CA 1.452 -0.338 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.081 -178.529 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1929 ' ' ALA . . . . . . . . . . . . . . . -61.59 -49.93 74.64 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.786 0.327 . . . . 0.0 110.623 176.745 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1930 ' ' LEU . . . . . 0.458 HD23 ' HA ' ' A' 1930 ' ' LEU . 10.8 mt -62.53 -49.5 75.08 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.976 -178.74 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1931 ' ' VAL . . . . . 0.426 HG22 ' HA ' ' A' 1928 ' ' SER . 22.8 m -64.76 -31.89 55.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 C-N-CA 120.911 -0.316 . . . . 0.0 111.273 -175.621 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1932 ' ' THR . . . . . . . . . . . . . 63.8 m -71.53 -44.99 63.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.495 -0.321 . . . . 0.0 110.471 177.842 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1933 ' ' LYS . . . . . 0.425 ' HD3' ' HA ' ' A' 1933 ' ' LYS . 70.9 mmtt -71.13 -35.37 71.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.212 -179.774 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1934 ' ' ALA . . . . . . . . . . . . . . . -62.83 -47.85 81.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.858 0.361 . . . . 0.0 110.255 176.338 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1935 ' ' GLY . . . . . . . . . . . . . . . -64.4 -37.61 94.7 Favored Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 120.79 -0.719 . . . . 0.0 111.795 177.071 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1936 ' ' ALA . . . . . . . . . . . . . . . -65.49 -43.76 89.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.646 0.26 . . . . 0.0 110.991 178.312 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1937 ' ' LEU . . . . . 0.405 ' HB2' HG22 ' A' 1946 ' ' THR . 46.8 tp -67.52 -34.67 77.57 Favored 'General case' 0 CA--C 1.513 -0.466 0 CA-C-O 120.882 0.372 . . . . 0.0 110.37 178.73 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1938 ' ' GLN . . . . . 0.412 ' HG3' ' HA ' ' A' 1880 ' ' GLU . 32.2 tt0 -62.05 -31.4 71.81 Favored 'General case' 0 N--CA 1.446 -0.643 0 CA-C-O 121.127 0.489 . . . . 0.0 110.231 179.219 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1939 ' ' CYS . . . . . . . . . . . . . 55.7 m -85.91 -16.98 36.78 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.016 179.378 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1940 ' ' SER . . . . . . . . . . . . . 60.1 m -150.92 78.97 7.17 Favored Pre-proline 0 C--N 1.326 -0.447 0 CA-C-O 120.918 0.39 . . . . 0.0 111.352 -177.845 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1941 ' ' PRO . . . . . . . . . . . . . 11.6 Cg_exo -74.09 -10.65 22.92 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 123.225 2.617 . . . . 0.0 112.033 -179.413 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1942 ' ' SER . . . . . . . . . . . . . 40.9 t -74.82 -23.76 58.52 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.09 178.139 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1943 ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -79.89 110.59 15.4 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.814 -178.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1944 ' ' VAL . . . . . 0.64 ' O ' ' HG3' ' A' 1948 ' ' LYS . 10.4 p -72.62 -32.21 40.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 N-CA-C 109.072 -0.714 . . . . 0.0 109.072 176.644 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1945 ' ' TYR . . . . . 0.495 ' O ' ' HG3' ' A' 1949 ' ' GLU . 49.5 m-85 -58.81 -51.29 70.62 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.307 -0.861 . . . . 0.0 110.101 179.741 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1946 ' ' THR . . . . . 0.405 HG22 ' HB2' ' A' 1937 ' ' LEU . 78.2 m -60.86 -42.15 97.3 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.352 -0.84 . . . . 0.0 111.089 178.595 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1947 ' ' LYS . . . . . . . . . . . . . 36.3 ttpt -63.08 -51.49 66.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.967 -178.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1948 ' ' LYS . . . . . 0.64 ' HG3' ' O ' ' A' 1944 ' ' VAL . 7.4 mtpm? -61.49 -35.92 79.02 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.992 -174.416 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1949 ' ' GLU . . . . . 0.495 ' HG3' ' O ' ' A' 1945 ' ' TYR . 41.5 mt-10 -58.19 -30.03 66.12 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.014 0.435 . . . . 0.0 110.663 178.094 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1950 ' ' LEU . . . . . . . . . . . . . 8.2 tt -70.18 -47.64 60.65 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.974 -0.557 . . . . 0.0 109.512 177.184 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1951 ' ' ILE . . . . . 0.55 ' HA ' HG12 ' A' 1872 ' ' VAL . 3.1 mp -61.0 -50.19 81.63 Favored 'Isoleucine or valine' 0 C--O 1.235 0.327 0 CA-C-O 121.073 0.463 . . . . 0.0 110.418 177.525 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1952 ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -65.08 -23.6 67.21 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.415 -0.811 . . . . 0.0 111.557 -175.855 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1953 ' ' CYS . . . . . . . . . . . . . 47.4 t -86.97 -43.95 11.98 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.557 0.217 . . . . 0.0 111.199 179.669 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1954 ' ' ALA . . . . . 0.494 ' HA ' HG22 ' A' 1957 ' ' VAL . . . -63.11 -40.1 96.64 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 112.266 0.469 . . . . 0.0 112.266 -174.485 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1955 ' ' ARG . . . . . . . . . . . . . 6.9 ppt_? -65.89 -22.98 66.55 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 120.709 -0.396 . . . . 0.0 110.967 178.536 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1956 ' ' ARG . . . . . . . . . . . . . 78.9 mtp180 -81.07 -44.42 18.03 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.22 176.684 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1957 ' ' VAL . . . . . 0.553 ' O ' HG13 ' A' 1961 ' ' VAL . 14.1 m -67.48 -22.61 28.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 C-N-CA 120.994 -0.282 . . . . 0.0 111.168 -177.152 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1958 ' ' SER . . . . . 0.639 ' O ' HG22 ' A' 1961 ' ' VAL . 30.3 t -61.88 -23.99 66.65 Favored 'General case' 0 CA--C 1.534 0.34 0 CA-C-O 121.057 0.456 . . . . 0.0 110.065 175.896 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1959 ' ' GLU . . . . . . . . . . . . . 35.0 mm-40 -80.57 -35.48 34.22 Favored 'General case' 0 C--N 1.327 -0.406 0 O-C-N 122.014 -0.429 . . . . 0.0 110.839 173.882 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1960 ' ' LYS . . . . . . . . . . . . . 93.4 mttt -64.72 -34.17 77.69 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.307 179.846 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1961 ' ' VAL . . . . . 0.868 HG21 ' HB2' ' A' 1865 ' ' ALA . 3.8 m -69.03 -32.85 55.99 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-O 121.076 0.465 . . . . 0.0 109.979 175.726 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1962 ' ' SER . . . . . 0.543 ' HA ' HD12 ' A' 1965 ' ' LEU . 32.7 t -71.56 -26.32 62.58 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-N 115.739 -0.664 . . . . 0.0 109.585 178.433 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1963 ' ' HIS . . . . . 0.5 ' HB3' ' CD ' ' A' 1919 ' ' ARG . 66.8 m170 -69.55 -34.51 74.31 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.711 -0.677 . . . . 0.0 109.992 177.611 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1964 ' ' VAL . . . . . 0.561 HG11 HD11 ' A' 1896 ' ' LEU . 96.3 t -63.37 -44.43 98.99 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.198 0 N-CA-C 109.444 -0.576 . . . . 0.0 109.444 172.827 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1965 ' ' LEU . . . . . 0.543 HD12 ' HA ' ' A' 1962 ' ' SER . 61.0 mt -55.59 -47.7 76.06 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.467 -0.788 . . . . 0.0 110.727 179.596 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1966 ' ' ALA . . . . . . . . . . . . . . . -68.55 -44.77 73.8 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.575 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1967 ' ' ALA . . . . . . . . . . . . . . . -57.74 -47.46 82.38 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.679 -178.214 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1968 ' ' LEU . . . . . 0.864 ' HB3' ' HG3' ' A' 1854 ' ' GLN . 4.4 mm? -72.08 -37.82 69.52 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.441 -177.831 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1969 ' ' GLN . . . . . . . . . . . . . 48.1 mt-30 -83.53 26.44 0.67 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.849 0.357 . . . . 0.0 111.166 -178.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1970 ' ' ALA . . . . . . . . . . . . . . . -65.87 -32.48 74.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.83 177.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1971 ' ' GLY . . . . . . . . . . . . . . . -81.09 59.99 4.72 Favored Glycine 0 N--CA 1.449 -0.469 0 C-N-CA 120.957 -0.64 . . . . 0.0 111.984 178.875 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1972 ' ' ASN . . . . . . . . . . . . . 28.3 t-20 -71.03 -27.89 63.99 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.102 0.477 . . . . 0.0 110.349 -179.807 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1973 ' ' ARG . . . . . . . . . . . . . 41.6 ttm180 . . . . . 0 C--O 1.25 1.117 0 CA-C-N 115.725 -0.671 . . . . 0.0 109.664 175.88 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A 1837 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.826 0 N-CA-C 112.061 -0.416 . . . . 0.0 112.061 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A 1838 ' ' ILE . . . . . . . . . . . . . 50.9 mm 60.74 94.06 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.465 0.289 0 CA-C-O 121.21 0.529 . . . . 0.0 111.058 -178.204 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1839 ' ' ASP . . . . . 0.415 ' HA ' ' HD3' ' A' 1840 ' ' PRO . 38.3 m-20 -104.88 154.0 38.95 Favored Pre-proline 0 C--N 1.322 -0.611 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.435 -178.867 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1840 ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' A' 1839 ' ' ASP . 6.4 Cg_exo -75.95 38.68 0.6 Allowed 'Trans proline' 0 CA--C 1.531 0.332 0 C-N-CA 123.266 2.644 . . . . 0.0 111.904 176.093 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1841 ' ' PHE . . . . . 0.568 ' HA ' ' HG3' ' A' 1846 ' ' PRO . 97.4 m-85 -134.12 154.06 51.44 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.736 -0.666 . . . . 0.0 109.396 179.004 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1842 ' ' THR . . . . . . . . . . . . . 34.9 p -136.91 -85.03 0.33 Allowed 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.744 0.307 . . . . 0.0 110.975 179.764 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1843 ' ' MET . . . . . . . . . . . . . 60.4 mtm -84.85 57.5 4.44 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.111 -0.699 . . . . 0.0 109.111 176.441 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1844 ' ' GLY . . . . . . . . . . . . . . . 73.99 -92.12 0.72 Allowed Glycine 0 N--CA 1.445 -0.737 0 N-CA-C 110.049 -1.22 . . . . 0.0 110.049 -169.401 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1845 ' ' ASP . . . . . 0.465 ' HA ' ' HD3' ' A' 1846 ' ' PRO . 0.4 OUTLIER -99.63 126.03 38.67 Favored Pre-proline 0 C--N 1.321 -0.652 0 CA-C-O 120.775 0.321 . . . . 0.0 110.257 174.414 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A 1846 ' ' PRO . . . . . 0.568 ' HG3' ' HA ' ' A' 1841 ' ' PHE . 7.9 Cg_exo -74.32 -155.31 0.05 OUTLIER 'Trans proline' 0 N--CA 1.461 -0.39 0 C-N-CA 122.976 2.45 . . . . 0.0 111.677 175.546 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1847 ' ' GLU . . . . . . . . . . . . . 2.0 pm0 -88.51 16.16 6.93 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.95 0.405 . . . . 0.0 110.598 -177.246 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1848 ' ' GLY . . . . . . . . . . . . . . . -75.64 48.95 2.33 Favored Glycine 0 CA--C 1.521 0.45 0 CA-C-N 115.735 -0.666 . . . . 0.0 113.732 -174.47 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1849 ' ' SER . . . . . . . . . . . . . 8.5 t -140.18 -50.33 0.47 Allowed 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 109.148 -0.686 . . . . 0.0 109.148 174.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1850 ' ' PHE . . . . . 0.408 ' HA ' ' HD2' ' A' 1853 ' ' TYR . 75.3 t80 -59.53 -30.62 68.72 Favored 'General case' 0 C--O 1.232 0.149 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.444 174.64 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1851 ' ' VAL . . . . . . . . . . . . . 26.8 m -59.46 -23.97 26.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.931 -179.154 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1852 ' ' ASP . . . . . . . . . . . . . 33.9 t70 -71.97 -49.77 34.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.768 0.318 . . . . 0.0 110.157 179.224 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1853 ' ' TYR . . . . . 0.614 ' O ' ' HG2' ' A' 1857 ' ' MET . 39.8 m-85 -61.39 -42.81 99.32 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 109.198 -0.667 . . . . 0.0 109.198 176.178 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1854 ' ' GLN . . . . . 0.806 ' HG3' ' HB3' ' A' 1968 ' ' LEU . 27.4 tt0 -48.84 -60.05 3.07 Favored 'General case' 0 CA--C 1.521 -0.146 0 CA-C-N 115.239 -0.892 . . . . 0.0 110.388 174.879 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1855 ' ' THR . . . . . 0.605 ' O ' ' HG2' ' A' 1859 ' ' ARG . 34.8 m -54.69 -37.77 66.19 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.281 -178.501 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1856 ' ' THR . . . . . 0.474 HG22 ' N ' ' A' 1857 ' ' MET . 1.0 OUTLIER -68.01 -57.77 5.6 Favored 'General case' 0 N--CA 1.445 -0.681 0 N-CA-C 112.239 0.459 . . . . 0.0 112.239 -177.576 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A 1857 ' ' MET . . . . . 0.614 ' HG2' ' O ' ' A' 1853 ' ' TYR . 9.6 ptm -78.88 -18.18 54.36 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 111.966 0.358 . . . . 0.0 111.966 -170.648 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1858 ' ' VAL . . . . . 0.414 HG22 ' O ' ' A' 1854 ' ' GLN . 33.6 m -71.73 -33.82 49.87 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.174 0 C-N-CA 119.628 -0.829 . . . . 0.0 109.504 171.257 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1859 ' ' ARG . . . . . 0.605 ' HG2' ' O ' ' A' 1855 ' ' THR . 9.7 mmm180 -65.77 -39.65 91.25 Favored 'General case' 0 CA--C 1.52 -0.189 0 N-CA-C 109.396 -0.594 . . . . 0.0 109.396 173.663 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1860 ' ' THR . . . . . 0.417 HG23 ' HD3' ' A' 1895 ' ' ARG . 6.6 m -61.51 -46.14 91.24 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.503 176.552 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1861 ' ' ALA . . . . . . . . . . . . . . . -59.25 -45.19 91.86 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.842 178.019 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1862 ' ' LYS . . . . . . . . . . . . . 53.9 mttm -62.27 -39.09 91.76 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.527 177.374 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1863 ' ' ALA . . . . . . . . . . . . . . . -65.32 -44.54 87.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.531 178.725 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1864 ' ' ILE . . . . . . . . . . . . . 75.0 mt -61.29 -43.14 95.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 116.228 -0.442 . . . . 0.0 109.949 175.189 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1865 ' ' ALA . . . . . 0.915 ' HB2' HG21 ' A' 1961 ' ' VAL . . . -58.65 -50.07 75.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.655 179.494 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1866 ' ' VAL . . . . . 0.573 ' O ' ' HG3' ' A' 1870 ' ' GLU . 13.3 p -67.89 -32.54 56.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 C-N-CA 120.572 -0.451 . . . . 0.0 110.448 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1867 ' ' THR . . . . . 0.666 ' O ' ' HG3' ' A' 1871 ' ' MET . 91.9 m -65.51 -53.17 46.26 Favored 'General case' 0 N--CA 1.452 -0.328 0 C-N-CA 120.957 -0.297 . . . . 0.0 110.384 177.506 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1868 ' ' VAL . . . . . 0.555 ' HA ' ' SD ' ' A' 1871 ' ' MET . 30.5 m -63.07 -33.85 63.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.785 -177.475 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1869 ' ' GLN . . . . . 0.555 ' O ' HG22 ' A' 1872 ' ' VAL . 2.4 pt20 -76.58 -24.75 53.51 Favored 'General case' 0 N--CA 1.451 -0.401 0 C-N-CA 120.752 -0.379 . . . . 0.0 110.303 179.713 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1870 ' ' GLU . . . . . 0.573 ' HG3' ' O ' ' A' 1866 ' ' VAL . 30.6 mt-10 -70.4 -38.2 74.62 Favored 'General case' 0 CA--C 1.516 -0.347 0 N-CA-C 109.713 -0.477 . . . . 0.0 109.713 172.042 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1871 ' ' MET . . . . . 0.666 ' HG3' ' O ' ' A' 1867 ' ' THR . 39.3 mtp -58.68 -39.76 81.61 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.841 -179.165 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1872 ' ' VAL . . . . . 1.079 ' HB ' HG13 ' A' 1951 ' ' ILE . 1.9 m -73.57 -29.19 26.38 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.301 0 CA-C-O 121.387 0.613 . . . . 0.0 110.642 179.621 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1873 ' ' THR . . . . . . . . . . . . . 54.2 m -80.21 -45.3 18.26 Favored 'General case' 0 C--N 1.315 -0.933 0 CA-C-N 115.194 -0.912 . . . . 0.0 111.097 -177.283 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1874 ' ' LYS . . . . . 0.408 ' HG3' HD11 ' A' 1885 ' ' LEU . 72.3 mmtt -64.68 -40.75 95.93 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.961 -179.005 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1875 ' ' SER . . . . . 0.491 ' HB3' HD11 ' A' 1882 ' ' LEU . 5.5 p -58.64 -16.03 14.32 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 112.861 0.689 . . . . 0.0 112.861 -173.562 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1876 ' ' ASN . . . . . . . . . . . . . 90.7 m-20 -77.66 -16.07 58.76 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 111.488 0.181 . . . . 0.0 111.488 -179.735 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1877 ' ' THR . . . . . . . . . . . . . 13.6 p -141.91 -46.86 0.36 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.299 0.571 . . . . 0.0 111.381 -179.474 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1878 ' ' SER . . . . . . . . . . . . . 73.5 m -110.19 101.55 48.2 Favored Pre-proline 0 C--N 1.321 -0.643 0 CA-C-N 115.466 -0.788 . . . . 0.0 111.442 -176.038 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1879 ' ' PRO . . . . . 0.945 ' HA ' HD12 ' A' 1882 ' ' LEU . 43.3 Cg_endo -88.19 -12.49 4.01 Favored 'Trans proline' 0 N--CA 1.443 -1.473 0 C-N-CA 121.47 1.446 . . . . 0.0 111.37 173.879 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1880 ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -75.69 -39.03 58.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.171 179.224 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1881 ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -67.98 -12.68 61.22 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.299 0.571 . . . . 0.0 110.808 -178.777 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1882 ' ' LEU . . . . . 0.945 HD12 ' HA ' ' A' 1879 ' ' PRO . 0.5 OUTLIER -72.72 -15.84 61.67 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.366 -0.834 . . . . 0.0 112.056 -177.941 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A 1883 ' ' GLY . . . . . . . . . . . . . . . -66.3 -60.83 5.94 Favored Glycine 0 CA--C 1.519 0.29 0 C-N-CA 120.684 -0.77 . . . . 0.0 111.944 177.357 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1884 ' ' PRO . . . . . . . . . . . . . 47.1 Cg_exo -56.8 -36.03 98.4 Favored 'Trans proline' 0 C--N 1.349 0.578 0 C-N-CA 122.599 2.199 . . . . 0.0 112.315 175.718 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1885 ' ' LEU . . . . . 0.408 HD11 ' HG3' ' A' 1874 ' ' LYS . 41.9 mt -64.03 -43.03 96.82 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.597 0.237 . . . . 0.0 111.43 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1886 ' ' ALA . . . . . . . . . . . . . . . -61.55 -45.27 94.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.939 0.4 . . . . 0.0 110.419 177.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1887 ' ' ASN . . . . . . . . . . . . . 34.1 t-20 -63.72 -38.28 90.54 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.985 -0.552 . . . . 0.0 109.814 177.464 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1888 ' ' GLN . . . . . . . . . . . . . 36.0 tp60 -61.31 -49.62 76.29 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.74 -179.721 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1889 ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -57.23 -47.3 81.67 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.399 0.619 . . . . 0.0 109.365 176.801 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1890 ' ' THR . . . . . . . . . . . . . 55.1 m -58.42 -43.94 88.88 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.054 -0.975 . . . . 0.0 111.541 -178.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1891 ' ' SER . . . . . . . . . . . . . 9.1 t -69.79 -40.41 76.03 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.357 -175.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1892 ' ' ASP . . . . . 0.458 ' O ' ' HB3' ' A' 1895 ' ' ARG . 0.5 OUTLIER -79.98 -24.84 40.64 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 112.404 0.52 . . . . 0.0 112.404 -176.699 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A 1893 ' ' TYR . . . . . . . . . . . . . 30.2 t80 -61.2 -44.3 97.51 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 119.938 -0.705 . . . . 0.0 110.224 174.561 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1894 ' ' GLY . . . . . . . . . . . . . . . -59.29 -37.88 92.51 Favored Glycine 0 C--N 1.332 0.353 0 C-N-CA 120.677 -0.773 . . . . 0.0 111.474 177.261 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1895 ' ' ARG . . . . . 0.458 ' HB3' ' O ' ' A' 1892 ' ' ASP . 62.6 ttt180 -58.9 -52.92 63.66 Favored 'General case' 0 C--N 1.325 -0.494 0 C-N-CA 122.886 0.475 . . . . 0.0 110.438 174.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1896 ' ' LEU . . . . . 0.486 HD21 HG21 ' A' 1964 ' ' VAL . 62.1 tp -61.1 -47.54 85.82 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.646 -0.706 . . . . 0.0 111.384 -179.465 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1897 ' ' ALA . . . . . . . . . . . . . . . -64.38 -24.61 67.7 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.872 -176.741 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1898 ' ' SER . . . . . . . . . . . . . 71.2 m -81.93 -27.64 33.21 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.753 0.311 . . . . 0.0 110.655 -177.877 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1899 ' ' GLN . . . . . 0.413 ' HG2' ' O ' ' A' 1895 ' ' ARG . 82.2 mm-40 -79.72 -14.21 58.9 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.329 -179.899 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1900 ' ' ALA . . . . . . . . . . . . . . . -68.23 -27.09 66.06 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.668 -0.697 . . . . 0.0 111.089 179.59 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1901 ' ' LYS . . . . . 0.489 ' HB3' ' HD3' ' A' 1902 ' ' PRO . 78.6 tttt -74.31 -58.58 1.87 Allowed Pre-proline 0 CA--C 1.538 0.516 0 C-N-CA 120.918 -0.313 . . . . 0.0 111.762 -177.697 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1902 ' ' PRO . . . . . 0.489 ' HD3' ' HB3' ' A' 1901 ' ' LYS . 37.9 Cg_endo -66.65 -22.6 50.33 Favored 'Trans proline' 0 C--N 1.357 1.019 0 C-N-CA 121.993 1.795 . . . . 0.0 112.27 -178.2 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1903 ' ' ALA . . . . . . . . . . . . . . . -75.15 -36.61 61.55 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.707 177.698 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1904 ' ' ALA . . . . . . . . . . . . . . . -69.06 -35.05 76.12 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.071 0.462 . . . . 0.0 110.578 -176.007 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1905 ' ' VAL . . . . . . . . . . . . . 31.0 m -85.14 -22.98 7.36 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-N 115.715 -0.675 . . . . 0.0 111.511 -178.495 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1906 ' ' ALA . . . . . . . . . . . . . . . -92.54 -4.96 52.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.88 0.371 . . . . 0.0 111.106 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1907 ' ' ALA . . . . . 0.438 ' HB1' ' HB ' ' A' 1912 ' ' ILE . . . -67.71 144.58 55.39 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.692 178.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1908 ' ' GLU . . . . . . . . . . . . . 16.7 mp0 -77.74 -24.38 49.07 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.575 -178.623 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1909 ' ' ASN . . . . . . . . . . . . . 63.6 m-20 -129.32 157.27 42.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.934 -0.575 . . . . 0.0 111.046 -178.278 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1910 ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -56.36 -54.13 49.13 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.715 -0.675 . . . . 0.0 111.356 178.613 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1911 ' ' GLU . . . . . . . . . . . . . 30.5 mt-10 -60.28 -39.24 86.2 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.718 -0.674 . . . . 0.0 111.843 -172.683 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1912 ' ' ILE . . . . . 0.502 ' O ' HG13 ' A' 1916 ' ' ILE . 63.4 mt -54.53 -53.2 33.21 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 O-C-N 123.267 0.354 . . . . 0.0 110.282 -179.071 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1913 ' ' GLY . . . . . . . . . . . . . . . -74.01 -31.49 59.79 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.812 -0.709 . . . . 0.0 112.432 -179.34 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1914 ' ' ALA . . . . . 0.431 ' O ' ' HD2' ' A' 1918 ' ' HIS . . . -68.81 -49.25 60.12 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.762 0.315 . . . . 0.0 110.382 -178.898 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1915 ' ' HIS . . . . . 0.652 ' O ' ' HG2' ' A' 1919 ' ' ARG . 66.2 m-70 -55.17 -42.78 73.59 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.574 -179.051 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1916 ' ' ILE . . . . . 0.502 HG13 ' O ' ' A' 1912 ' ' ILE . 96.1 mt -52.25 -53.11 20.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 115.729 -0.669 . . . . 0.0 111.109 178.061 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1917 ' ' LYS . . . . . . . . . . . . . 52.2 mtmt -67.72 -28.3 67.54 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.785 -0.643 . . . . 0.0 111.715 -175.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1918 ' ' HIS . . . . . 0.431 ' HD2' ' O ' ' A' 1914 ' ' ALA . 87.2 m-70 -74.08 -36.86 64.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.911 0.386 . . . . 0.0 110.518 176.841 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1919 ' ' ARG . . . . . 0.652 ' HG2' ' O ' ' A' 1915 ' ' HIS . 25.1 mmt180 -73.06 -40.79 64.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.688 -176.037 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1920 ' ' VAL . . . . . . . . . . . . . 27.6 m -68.06 -24.23 29.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 121.204 0.526 . . . . 0.0 110.21 177.23 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1921 ' ' GLN . . . . . . . . . . . . . 48.5 tp60 -70.24 -33.72 71.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.787 -0.642 . . . . 0.0 109.968 177.868 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1922 ' ' GLU . . . . . 0.427 ' HB3' ' HG2' ' A' 1960 ' ' LYS . 39.4 mt-10 -62.22 -46.01 90.8 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 121.203 0.525 . . . . 0.0 110.237 176.098 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1923 ' ' LEU . . . . . 0.574 ' HG ' ' HB3' ' A' 1960 ' ' LYS . 25.2 mt -65.93 -23.23 66.58 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.54 -0.755 . . . . 0.0 111.905 -177.903 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1924 ' ' GLY . . . . . . . . . . . . . . . -53.97 -52.91 39.99 Favored Glycine 0 C--O 1.23 -0.15 0 C-N-CA 120.89 -0.672 . . . . 0.0 112.673 -179.284 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1925 ' ' HIS . . . . . . . . . . . . . 31.1 m80 -79.41 -21.09 46.08 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.816 0.341 . . . . 0.0 110.891 -178.693 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1926 ' ' GLY . . . . . . . . . . . . . . . -76.62 -44.11 16.86 Favored Glycine 0 N--CA 1.449 -0.444 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.513 -178.474 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1927 ' ' CYS . . . . . . . . . . . . . 60.2 m -65.48 -43.74 89.29 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.644 0.259 . . . . 0.0 110.611 -179.268 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1928 ' ' SER . . . . . . . . . . . . . 21.0 p -62.94 -39.39 94.47 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.13 -178.045 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1929 ' ' ALA . . . . . . . . . . . . . . . -67.93 -41.81 82.01 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.817 178.46 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1930 ' ' LEU . . . . . 0.516 ' HG ' ' HB3' ' A' 1953 ' ' CYS . 0.4 OUTLIER -66.0 -50.86 62.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.898 -177.389 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A 1931 ' ' VAL . . . . . . . . . . . . . 33.0 m -62.34 -27.97 43.71 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.17 0 CA-C-O 120.792 0.33 . . . . 0.0 111.136 -176.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1932 ' ' THR . . . . . . . . . . . . . 89.5 m -66.43 -46.59 75.98 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.376 175.424 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1933 ' ' LYS . . . . . . . . . . . . . 32.9 mmtp -72.04 -31.33 66.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.979 -178.555 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1934 ' ' ALA . . . . . . . . . . . . . . . -59.15 -50.2 74.96 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.97 0.414 . . . . 0.0 110.194 174.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1935 ' ' GLY . . . . . . . . . . . . . . . -67.82 -39.36 89.83 Favored Glycine 0 N--CA 1.448 -0.522 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.145 177.655 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1936 ' ' ALA . . . . . . . . . . . . . . . -61.07 -46.75 89.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.559 0.218 . . . . 0.0 111.186 179.569 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1937 ' ' LEU . . . . . 0.431 ' HB2' HG22 ' A' 1946 ' ' THR . 25.2 tp -67.12 -35.13 79.08 Favored 'General case' 0 CA--C 1.511 -0.537 0 CA-C-O 120.918 0.389 . . . . 0.0 110.412 178.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1938 ' ' GLN . . . . . 0.428 ' HG3' ' O ' ' A' 1879 ' ' PRO . 35.4 tt0 -62.19 -31.53 72.06 Favored 'General case' 0 N--CA 1.444 -0.732 0 CA-C-O 121.285 0.564 . . . . 0.0 110.022 179.54 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1939 ' ' CYS . . . . . . . . . . . . . 56.2 m -86.35 -17.45 34.46 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.007 178.297 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1940 ' ' SER . . . . . . . . . . . . . 6.4 m -136.01 72.81 60.31 Favored Pre-proline 0 C--N 1.326 -0.415 0 CA-C-N 116.589 -0.278 . . . . 0.0 110.808 -177.165 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1941 ' ' PRO . . . . . . . . . . . . . 11.8 Cg_exo -72.32 -14.13 28.19 Favored 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.836 2.357 . . . . 0.0 112.425 -176.205 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1942 ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -90.4 -1.42 57.91 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.431 -179.706 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1943 ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -104.63 106.38 16.85 Favored 'General case' 0 CA--C 1.516 -0.347 0 CA-C-O 121.075 0.464 . . . . 0.0 111.349 179.759 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1944 ' ' VAL . . . . . 0.431 ' O ' ' HG2' ' A' 1948 ' ' LYS . 9.4 p -69.25 -25.21 28.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.028 177.553 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1945 ' ' TYR . . . . . . . . . . . . . 84.9 m-85 -55.21 -46.9 75.92 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.344 -0.844 . . . . 0.0 110.846 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1946 ' ' THR . . . . . 0.431 HG22 ' HB2' ' A' 1937 ' ' LEU . 32.8 m -68.56 -38.37 80.7 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.693 179.56 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1947 ' ' LYS . . . . . . . . . . . . . 13.6 ttpp -63.14 -43.31 98.7 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.56 -178.481 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1948 ' ' LYS . . . . . 0.431 ' HG2' ' O ' ' A' 1944 ' ' VAL . 7.5 mmpt? -53.13 -51.66 61.22 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 121.11 0.481 . . . . 0.0 110.532 -179.843 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1949 ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 -64.94 -28.96 69.88 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.289 -0.869 . . . . 0.0 111.537 -175.864 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1950 ' ' LEU . . . . . 0.483 HD11 HD22 ' A' 1882 ' ' LEU . 6.2 tt -64.45 -52.12 59.65 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.533 -0.543 . . . . 0.0 109.533 178.363 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1951 ' ' ILE . . . . . 1.079 HG13 ' HB ' ' A' 1872 ' ' VAL . 2.0 mp -62.81 -44.45 99.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 115.976 -0.556 . . . . 0.0 109.996 177.122 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1952 ' ' GLU . . . . . . . . . . . . . 24.2 mm-40 -56.2 -38.0 70.4 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.762 -0.654 . . . . 0.0 112.042 179.718 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1953 ' ' CYS . . . . . 0.516 ' HB3' ' HG ' ' A' 1930 ' ' LEU . 9.1 t -75.89 -38.92 57.33 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 120.646 0.26 . . . . 0.0 110.819 -177.626 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1954 ' ' ALA . . . . . 0.57 ' HA ' HG22 ' A' 1957 ' ' VAL . . . -66.5 -44.12 83.48 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 111.805 0.298 . . . . 0.0 111.805 -176.88 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1955 ' ' ARG . . . . . 0.45 ' HG2' ' O ' ' A' 1951 ' ' ILE . 3.7 ptp180 -62.82 -24.41 67.75 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.114 0.483 . . . . 0.0 110.733 178.616 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1956 ' ' ARG . . . . . . . . . . . . . 65.2 mtp180 -80.22 -48.46 13.07 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.877 176.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1957 ' ' VAL . . . . . 0.57 HG22 ' HA ' ' A' 1954 ' ' ALA . 20.6 m -67.26 -29.05 44.56 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 C-N-CA 121.038 -0.265 . . . . 0.0 111.551 -176.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1958 ' ' SER . . . . . 0.702 ' O ' HG22 ' A' 1961 ' ' VAL . 20.4 t -64.84 -23.97 67.4 Favored 'General case' 0 CA--C 1.532 0.282 0 CA-C-O 121.039 0.447 . . . . 0.0 110.258 178.74 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1959 ' ' GLU . . . . . . . . . . . . . 78.5 mm-40 -71.26 -39.34 71.65 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 121.739 -0.6 . . . . 0.0 109.997 173.096 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1960 ' ' LYS . . . . . 0.574 ' HB3' ' HG ' ' A' 1923 ' ' LEU . 2.9 mptp? -66.78 -35.53 80.28 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.551 179.614 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1961 ' ' VAL . . . . . 0.915 HG21 ' HB2' ' A' 1865 ' ' ALA . 2.4 m -67.03 -32.79 59.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 N-CA-C 109.365 -0.605 . . . . 0.0 109.365 175.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1962 ' ' SER . . . . . 0.552 ' HA ' HD12 ' A' 1965 ' ' LEU . 42.8 m -71.87 -26.57 62.4 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-N 115.598 -0.728 . . . . 0.0 109.927 176.188 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1963 ' ' HIS . . . . . 0.531 ' HB3' ' CD ' ' A' 1919 ' ' ARG . 65.9 m170 -70.55 -32.5 69.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.006 176.268 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1964 ' ' VAL . . . . . 0.486 HG21 HD21 ' A' 1896 ' ' LEU . 95.5 t -65.21 -43.75 95.36 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.144 0 N-CA-C 108.946 -0.761 . . . . 0.0 108.946 173.521 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1965 ' ' LEU . . . . . 0.552 HD12 ' HA ' ' A' 1962 ' ' SER . 65.8 mt -59.45 -33.79 71.72 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.239 -0.892 . . . . 0.0 110.809 177.672 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1966 ' ' ALA . . . . . . . . . . . . . . . -76.81 -48.02 19.77 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.345 179.585 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1967 ' ' ALA . . . . . . . . . . . . . . . -60.99 -46.34 91.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.917 -177.15 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1968 ' ' LEU . . . . . 0.806 ' HB3' ' HG3' ' A' 1854 ' ' GLN . 4.2 mm? -67.43 -32.14 72.8 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.764 0.316 . . . . 0.0 111.535 -177.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1969 ' ' GLN . . . . . . . . . . . . . 48.6 mt-30 -96.26 20.67 10.03 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.989 0.424 . . . . 0.0 110.905 -178.227 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1970 ' ' ALA . . . . . . . . . . . . . . . -87.14 -0.45 56.7 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.71 178.228 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1971 ' ' GLY . . . . . 0.418 ' O ' ' HB2' ' A' 1972 ' ' ASN . . . -78.17 109.61 2.86 Favored Glycine 0 N--CA 1.446 -0.685 0 C-N-CA 120.899 -0.667 . . . . 0.0 111.979 179.222 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1972 ' ' ASN . . . . . 0.418 ' HB2' ' O ' ' A' 1971 ' ' GLY . 36.7 m-80 69.95 168.17 0.3 Allowed 'General case' 0 N--CA 1.465 0.31 0 C-N-CA 122.954 0.501 . . . . 0.0 111.097 -178.305 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1973 ' ' ARG . . . . . . . . . . . . . 18.6 ptp180 . . . . . 0 C--O 1.245 0.852 0 CA-C-O 118.634 -0.698 . . . . 0.0 110.009 178.775 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A 1837 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.778 0 N-CA-C 111.946 -0.462 . . . . 0.0 111.946 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A 1838 ' ' ILE . . . . . . . . . . . . . 9.3 tt -164.23 129.54 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-O 121.1 0.476 . . . . 0.0 110.838 178.032 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1839 ' ' ASP . . . . . . . . . . . . . 18.5 t70 -64.78 131.77 95.25 Favored Pre-proline 0 C--N 1.323 -0.553 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.263 178.708 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1840 ' ' PRO . . . . . . . . . . . . . 80.4 Cg_endo -80.18 -2.21 11.88 Favored 'Trans proline' 0 N--CA 1.463 -0.292 0 C-N-CA 122.772 2.314 . . . . 0.0 113.287 -171.854 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1841 ' ' PHE . . . . . . . . . . . . . 1.3 t80 -95.34 -6.06 42.01 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.017 0.437 . . . . 0.0 110.139 -179.024 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1842 ' ' THR . . . . . . . . . . . . . 67.5 p -84.19 -53.56 5.43 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.487 -176.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1843 ' ' MET . . . . . . . . . . . . . 66.3 mtt -105.42 151.74 23.85 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.067 0.46 . . . . 0.0 111.508 -176.545 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1844 ' ' GLY . . . . . . . . . . . . . . . 173.45 83.7 0.06 OUTLIER Glycine 0 N--CA 1.446 -0.634 0 CA-C-N 115.499 -0.773 . . . . 0.0 111.423 179.487 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1845 ' ' ASP . . . . . . . . . . . . . 21.0 m-20 -118.18 111.42 38.63 Favored Pre-proline 0 C--N 1.325 -0.482 0 CA-C-O 120.779 0.323 . . . . 0.0 110.666 -177.823 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1846 ' ' PRO . . . . . 0.507 ' HB2' ' HB3' ' A' 1908 ' ' GLU . 19.7 Cg_exo -67.5 -21.07 46.95 Favored 'Trans proline' 0 CA--C 1.529 0.232 0 C-N-CA 122.82 2.346 . . . . 0.0 111.846 177.352 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1847 ' ' GLU . . . . . 0.474 ' HB3' ' HG2' ' A' 1908 ' ' GLU . 12.7 pt-20 -96.33 11.33 35.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.081 0.467 . . . . 0.0 110.429 176.52 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1848 ' ' GLY . . . . . 0.429 ' C ' ' H ' ' A' 1850 ' ' PHE . . . -62.29 155.56 39.57 Favored Glycine 0 N--CA 1.449 -0.491 0 CA-C-N 115.825 -0.625 . . . . 0.0 112.335 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1849 ' ' SER . . . . . . . . . . . . . 83.4 p 66.46 -24.55 0.1 Allowed 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 124.897 1.279 . . . . 0.0 112.938 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1850 ' ' PHE . . . . . 0.429 ' H ' ' C ' ' A' 1848 ' ' GLY . 77.5 t80 -62.6 -25.11 67.92 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.145 0.498 . . . . 0.0 110.374 177.018 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1851 ' ' VAL . . . . . . . . . . . . . 13.4 m -57.0 -33.76 43.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 115.414 -0.812 . . . . 0.0 111.636 -178.438 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1852 ' ' ASP . . . . . . . . . . . . . 31.0 t70 -73.12 -48.89 31.79 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.708 -178.114 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1853 ' ' TYR . . . . . 0.442 ' CE1' ' HB2' ' A' 1902 ' ' PRO . 50.5 m-85 -63.8 -41.57 97.89 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.079 -179.79 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1854 ' ' GLN . . . . . 0.847 ' HG3' ' HB3' ' A' 1968 ' ' LEU . 32.5 tt0 -55.24 -57.57 11.24 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.322 176.348 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1855 ' ' THR . . . . . 0.623 ' O ' ' HG2' ' A' 1859 ' ' ARG . 46.1 m -58.63 -30.07 66.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.342 -178.81 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1856 ' ' THR . . . . . 0.438 HG22 ' N ' ' A' 1857 ' ' MET . 1.2 m -69.26 -58.61 3.82 Favored 'General case' 0 N--CA 1.442 -0.833 0 N-CA-C 112.201 0.445 . . . . 0.0 112.201 -178.78 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1857 ' ' MET . . . . . 0.73 ' HG3' HD21 ' A' 1968 ' ' LEU . 5.5 ptm -79.31 -17.04 55.37 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 112.115 0.413 . . . . 0.0 112.115 -169.04 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1858 ' ' VAL . . . . . 0.536 ' O ' ' HG3' ' A' 1862 ' ' LYS . 35.6 m -66.22 -33.63 64.8 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.164 0 C-N-CA 119.991 -0.684 . . . . 0.0 109.915 172.377 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1859 ' ' ARG . . . . . 0.623 ' HG2' ' O ' ' A' 1855 ' ' THR . 17.3 mmt180 -68.98 -42.02 77.11 Favored 'General case' 0 CA--C 1.518 -0.286 0 N-CA-C 109.087 -0.709 . . . . 0.0 109.087 178.343 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1860 ' ' THR . . . . . 0.449 HG21 ' HB2' ' A' 1896 ' ' LEU . 28.4 m -59.61 -44.4 93.43 Favored 'General case' 0 N--CA 1.448 -0.549 0 CA-C-N 115.078 -0.964 . . . . 0.0 110.993 177.516 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1861 ' ' ALA . . . . . 0.451 ' HB1' ' HB ' ' A' 1961 ' ' VAL . . . -57.74 -41.79 82.58 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.618 177.383 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1862 ' ' LYS . . . . . 0.536 ' HG3' ' O ' ' A' 1858 ' ' VAL . 56.9 mttm -65.51 -43.41 90.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.593 178.545 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1863 ' ' ALA . . . . . . . . . . . . . . . -64.58 -36.48 84.37 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.891 179.057 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1864 ' ' ILE . . . . . 0.622 ' O ' HG13 ' A' 1868 ' ' VAL . 69.1 mt -66.81 -48.47 79.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 116.512 -0.313 . . . . 0.0 110.323 175.877 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1865 ' ' ALA . . . . . 0.768 ' HB2' HG21 ' A' 1961 ' ' VAL . . . -57.75 -43.94 85.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.205 -0.452 . . . . 0.0 112.162 -177.185 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1866 ' ' VAL . . . . . 0.501 ' O ' ' HG3' ' A' 1870 ' ' GLU . 12.7 p -66.96 -33.96 66.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 C-N-CA 120.84 -0.344 . . . . 0.0 110.524 179.537 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1867 ' ' THR . . . . . 0.648 ' O ' ' HG3' ' A' 1871 ' ' MET . 85.5 m -67.8 -52.43 37.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.372 -0.377 . . . . 0.0 110.9 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1868 ' ' VAL . . . . . 0.622 HG13 ' O ' ' A' 1864 ' ' ILE . 3.2 m -61.05 -29.67 46.16 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.245 0 CA-C-O 121.566 0.698 . . . . 0.0 110.445 -178.194 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1869 ' ' GLN . . . . . . . . . . . . . 7.6 tp-100 -74.98 -29.89 61.03 Favored 'General case' 0 N--CA 1.425 -1.698 0 CA-C-N 114.787 -1.097 . . . . 0.0 110.191 -178.845 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1870 ' ' GLU . . . . . 0.501 ' HG3' ' O ' ' A' 1866 ' ' VAL . 48.6 mt-10 -74.35 -42.45 59.36 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.195 -0.457 . . . . 0.0 109.903 172.468 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1871 ' ' MET . . . . . 0.648 ' HG3' ' O ' ' A' 1867 ' ' THR . 59.0 mtp -55.46 -42.71 74.67 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.934 -0.575 . . . . 0.0 111.178 -177.056 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1872 ' ' VAL . . . . . 0.597 HG12 ' HA ' ' A' 1951 ' ' ILE . 28.3 m -74.23 -28.49 23.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-O 120.764 0.316 . . . . 0.0 111.756 178.512 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1873 ' ' THR . . . . . . . . . . . . . 94.6 m -74.07 -42.89 59.48 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.05 0.452 . . . . 0.0 110.638 178.286 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1874 ' ' LYS . . . . . 0.493 ' HG2' ' O ' ' A' 1870 ' ' GLU . 74.3 mmtt -66.14 -50.39 64.12 Favored 'General case' 0 C--O 1.221 -0.422 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.137 -178.578 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1875 ' ' SER . . . . . 0.535 ' HB2' ' HG3' ' A' 1947 ' ' LYS . 4.1 p -53.99 -20.53 6.42 Favored 'General case' 0 N--CA 1.468 0.431 0 N-CA-C 113.444 0.905 . . . . 0.0 113.444 -170.646 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1876 ' ' ASN . . . . . . . . . . . . . 86.1 m-20 -63.27 -31.9 73.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.803 0.335 . . . . 0.0 111.287 178.325 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1877 ' ' THR . . . . . . . . . . . . . 35.2 p -137.05 -37.95 0.64 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.128 0.489 . . . . 0.0 111.877 -176.426 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1878 ' ' SER . . . . . . . . . . . . . 51.4 m -109.13 99.59 36.57 Favored Pre-proline 0 C--N 1.322 -0.611 0 CA-C-N 115.608 -0.724 . . . . 0.0 111.089 -177.114 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1879 ' ' PRO . . . . . 0.833 ' HA ' HD12 ' A' 1882 ' ' LEU . 50.3 Cg_endo -89.16 -12.47 3.29 Favored 'Trans proline' 0 N--CA 1.443 -1.465 0 C-N-CA 121.776 1.651 . . . . 0.0 112.666 178.429 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1880 ' ' GLU . . . . . 0.544 ' HA ' ' HG2' ' A' 1938 ' ' GLN . 41.9 mt-10 -95.28 -23.24 17.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.665 0.269 . . . . 0.0 111.338 -177.009 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1881 ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -67.42 -13.11 61.73 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-O 121.091 0.472 . . . . 0.0 110.716 174.727 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1882 ' ' LEU . . . . . 0.833 HD12 ' HA ' ' A' 1879 ' ' PRO . 1.7 mt -76.93 -16.39 59.38 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.695 -0.684 . . . . 0.0 112.244 -178.184 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1883 ' ' GLY . . . . . . . . . . . . . . . -56.59 -61.31 7.63 Favored Glycine 0 CA--C 1.52 0.369 0 C-N-CA 120.833 -0.698 . . . . 0.0 112.526 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1884 ' ' PRO . . . . . . . . . . . . . 18.9 Cg_endo -60.9 -31.41 91.53 Favored 'Trans proline' 0 C--N 1.344 0.327 0 C-N-CA 122.541 2.161 . . . . 0.0 112.497 176.777 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1885 ' ' LEU . . . . . 0.439 ' HB3' ' HG2' ' A' 1871 ' ' MET . 86.0 mt -66.66 -41.25 88.46 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.615 -0.266 . . . . 0.0 111.217 -178.354 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1886 ' ' ALA . . . . . . . . . . . . . . . -62.8 -45.74 91.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.111 0.482 . . . . 0.0 110.617 178.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1887 ' ' ASN . . . . . . . . . . . . . 44.3 t30 -66.71 -35.06 79.25 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.846 -0.616 . . . . 0.0 110.474 178.265 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1888 ' ' GLN . . . . . . . . . . . . . 19.2 tp60 -64.54 -49.52 70.91 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.56 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1889 ' ' LEU . . . . . 0.515 HD12 ' SD ' ' A' 1871 ' ' MET . 1.3 tt -57.79 -46.82 84.09 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 109.453 -0.573 . . . . 0.0 109.453 177.48 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1890 ' ' THR . . . . . . . . . . . . . 85.8 m -57.57 -44.6 85.41 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.279 -0.873 . . . . 0.0 111.492 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1891 ' ' SER . . . . . . . . . . . . . 53.7 m -61.92 -50.28 72.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.496 -178.169 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1892 ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -64.78 -42.38 95.14 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.595 -0.275 . . . . 0.0 111.417 -178.605 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1893 ' ' TYR . . . . . . . . . . . . . 55.3 t80 -57.41 -34.72 69.2 Favored 'General case' 0 C--O 1.233 0.214 0 C-N-CA 120.674 -0.411 . . . . 0.0 110.884 179.179 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1894 ' ' GLY . . . . . . . . . . . . . . . -54.15 -42.36 72.14 Favored Glycine 0 N--CA 1.449 -0.444 0 C-N-CA 120.932 -0.651 . . . . 0.0 111.86 176.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1895 ' ' ARG . . . . . . . . . . . . . 8.0 mpt_? -68.34 -48.84 63.76 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.932 0.396 . . . . 0.0 110.124 178.065 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1896 ' ' LEU . . . . . 0.449 ' HB2' HG21 ' A' 1860 ' ' THR . 58.2 tp -54.3 -50.62 66.9 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.559 -0.746 . . . . 0.0 111.526 -178.728 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1897 ' ' ALA . . . . . . . . . . . . . . . -67.0 -25.73 66.45 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.561 -177.42 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1898 ' ' SER . . . . . . . . . . . . . 62.6 m -81.53 -45.04 16.49 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.811 0.339 . . . . 0.0 110.67 -176.14 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1899 ' ' GLN . . . . . 0.797 ' HA ' HE21 ' A' 1899 ' ' GLN . 0.0 OUTLIER -68.27 -13.03 61.95 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.924 -178.213 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A 1900 ' ' ALA . . . . . . . . . . . . . . . -67.62 -27.16 66.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.049 178.029 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1901 ' ' LYS . . . . . 0.72 ' HB3' ' HD3' ' A' 1902 ' ' PRO . 23.0 tptm -70.08 -57.12 6.44 Favored Pre-proline 0 CA--C 1.538 0.503 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.407 -178.827 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1902 ' ' PRO . . . . . 0.72 ' HD3' ' HB3' ' A' 1901 ' ' LYS . 14.6 Cg_exo -68.98 -25.06 32.59 Favored 'Trans proline' 0 C--N 1.357 1.019 0 C-N-CA 122.104 1.869 . . . . 0.0 112.046 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1903 ' ' ALA . . . . . . . . . . . . . . . -70.95 -31.61 68.24 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.429 -0.351 . . . . 0.0 110.824 178.204 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1904 ' ' ALA . . . . . . . . . . . . . . . -75.03 -37.7 61.67 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.932 0.396 . . . . 0.0 110.721 -177.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1905 ' ' VAL . . . . . 0.473 HG22 ' HA ' ' A' 1902 ' ' PRO . 33.1 m -81.27 -13.31 12.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.618 -177.17 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1906 ' ' ALA . . . . . . . . . . . . . . . -104.43 3.4 32.16 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.876 0.369 . . . . 0.0 111.081 179.735 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1907 ' ' ALA . . . . . . . . . . . . . . . -89.22 119.52 29.79 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.884 -179.158 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1908 ' ' GLU . . . . . 0.507 ' HB3' ' HB2' ' A' 1846 ' ' PRO . 6.6 pt-20 -63.06 -29.62 70.96 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.515 179.434 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1909 ' ' ASN . . . . . 0.565 ' HB2' HG13 ' A' 1912 ' ' ILE . 0.9 OUTLIER -95.18 134.69 37.64 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.838 0.351 . . . . 0.0 110.709 -178.907 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A 1910 ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -53.65 -49.59 67.6 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.194 -0.912 . . . . 0.0 111.222 179.192 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1911 ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -73.05 -30.94 64.09 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.811 -0.631 . . . . 0.0 112.298 -173.774 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1912 ' ' ILE . . . . . 0.622 ' O ' HG13 ' A' 1916 ' ' ILE . 51.9 mt -55.18 -54.21 26.86 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.33 0 C-N-CA 120.568 -0.453 . . . . 0.0 110.335 -179.603 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1913 ' ' GLY . . . . . . . . . . . . . . . -64.75 -36.38 93.05 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.407 -178.558 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1914 ' ' ALA . . . . . . . . . . . . . . . -69.1 -41.15 77.84 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.622 0.249 . . . . 0.0 110.49 -178.644 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1915 ' ' HIS . . . . . 0.574 ' O ' ' HG2' ' A' 1919 ' ' ARG . 61.5 m-70 -63.83 -40.49 96.74 Favored 'General case' 0 CA--C 1.517 -0.299 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.836 -179.71 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1916 ' ' ILE . . . . . 0.622 HG13 ' O ' ' A' 1912 ' ' ILE . 76.5 mt -55.42 -57.0 8.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 121.183 0.516 . . . . 0.0 110.427 178.118 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1917 ' ' LYS . . . . . 0.476 ' HA ' HG22 ' A' 1920 ' ' VAL . 19.8 mtpp -64.0 -29.83 70.96 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.375 -0.83 . . . . 0.0 111.031 -179.106 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1918 ' ' HIS . . . . . . . . . . . . . 39.1 t-80 -68.44 -44.95 73.8 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.19 177.739 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1919 ' ' ARG . . . . . 0.574 ' HG2' ' O ' ' A' 1915 ' ' HIS . 29.3 mmt180 -74.0 -33.21 63.73 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.49 -175.536 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1920 ' ' VAL . . . . . 0.476 HG22 ' HA ' ' A' 1917 ' ' LYS . 33.2 m -72.6 -28.51 28.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 C-N-CA 120.535 -0.466 . . . . 0.0 110.7 177.617 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1921 ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -69.77 -40.24 76.21 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 108.27 -1.011 . . . . 0.0 108.27 172.412 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1922 ' ' GLU . . . . . 0.538 ' HG2' ' HD3' ' A' 1960 ' ' LYS . 35.7 tt0 -66.87 -49.05 66.9 Favored 'General case' 0 N--CA 1.444 -0.742 0 CA-C-N 114.045 -1.434 . . . . 0.0 109.199 -175.325 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1923 ' ' LEU . . . . . 0.489 ' HG ' ' HB2' ' A' 1960 ' ' LYS . 1.1 tt -68.65 -37.8 79.94 Favored 'General case' 0 N--CA 1.444 -0.733 0 CA-C-N 114.554 -1.203 . . . . 0.0 109.559 177.313 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1924 ' ' GLY . . . . . . . . . . . . . . . -55.57 -55.28 29.48 Favored Glycine 0 N--CA 1.452 -0.261 0 CA-C-N 115.809 -0.632 . . . . 0.0 113.706 -177.219 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1925 ' ' HIS . . . . . . . . . . . . . 6.0 p-80 -70.13 -20.17 63.18 Favored 'General case' 0 C--N 1.324 -0.51 0 C-N-CA 120.383 -0.527 . . . . 0.0 110.547 -179.437 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1926 ' ' GLY . . . . . . . . . . . . . . . -77.35 -48.49 8.12 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.897 -0.668 . . . . 0.0 112.288 176.896 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1927 ' ' CYS . . . . . 0.419 ' HB2' HD22 ' A' 1889 ' ' LEU . 28.6 p -70.49 -35.87 73.49 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.719 0.295 . . . . 0.0 110.637 -178.827 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1928 ' ' SER . . . . . . . . . . . . . 24.7 t -62.9 -39.09 93.43 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.114 177.229 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1929 ' ' ALA . . . . . . . . . . . . . . . -69.1 -36.97 78.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.133 0.492 . . . . 0.0 110.159 176.169 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1930 ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -62.51 -53.16 58.81 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.492 -0.776 . . . . 0.0 110.28 179.306 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1931 ' ' VAL . . . . . . . . . . . . . 34.7 m -63.94 -29.5 47.46 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.163 0 N-CA-C 111.728 0.27 . . . . 0.0 111.728 -175.831 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1932 ' ' THR . . . . . . . . . . . . . 73.4 m -62.88 -45.43 92.57 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.076 0.465 . . . . 0.0 110.076 174.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1933 ' ' LYS . . . . . . . . . . . . . 32.2 mmtp -75.5 -34.67 60.85 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.537 -179.714 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1934 ' ' ALA . . . . . . . . . . . . . . . -60.41 -46.22 90.79 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.449 -0.342 . . . . 0.0 110.439 176.208 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1935 ' ' GLY . . . . . . . . . . . . . . . -67.92 -36.8 87.2 Favored Glycine 0 N--CA 1.448 -0.509 0 C-N-CA 120.793 -0.718 . . . . 0.0 111.978 177.143 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1936 ' ' ALA . . . . . . . . . . . . . . . -64.32 -47.24 80.17 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.671 0.272 . . . . 0.0 111.239 178.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1937 ' ' LEU . . . . . 0.539 ' HB2' HG22 ' A' 1946 ' ' THR . 55.5 tp -69.08 -27.91 66.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.274 0.559 . . . . 0.0 110.267 179.28 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1938 ' ' GLN . . . . . 0.544 ' HG2' ' HA ' ' A' 1880 ' ' GLU . 0.3 OUTLIER -69.92 -34.42 73.45 Favored 'General case' 0 N--CA 1.445 -0.708 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.098 179.803 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A 1939 ' ' CYS . . . . . . . . . . . . . 55.8 m -86.11 -34.75 20.54 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.872 -0.603 . . . . 0.0 110.482 177.545 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1940 ' ' SER . . . . . . . . . . . . . 51.1 m -119.55 85.05 31.39 Favored Pre-proline 0 C--N 1.325 -0.484 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.295 -179.713 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1941 ' ' PRO . . . . . 0.617 ' HB3' ' HG3' ' A' 1879 ' ' PRO . 12.8 Cg_exo -72.71 -13.03 26.99 Favored 'Trans proline' 0 N--CA 1.465 -0.16 0 C-N-CA 122.94 2.427 . . . . 0.0 112.086 179.152 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1942 ' ' SER . . . . . . . . . . . . . 56.8 m -90.89 8.88 32.78 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.989 -0.551 . . . . 0.0 111.209 -179.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1943 ' ' ASP . . . . . . . . . . . . . 13.0 t70 -113.1 97.66 6.65 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.918 0.39 . . . . 0.0 110.256 178.216 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1944 ' ' VAL . . . . . . . . . . . . . 8.0 p -72.65 -22.6 20.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.051 -175.533 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1945 ' ' TYR . . . . . 0.467 ' O ' ' HG3' ' A' 1949 ' ' GLU . 85.6 m-85 -66.97 -40.7 87.51 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.068 -0.515 . . . . 0.0 109.925 -178.809 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1946 ' ' THR . . . . . 0.539 HG22 ' HB2' ' A' 1937 ' ' LEU . 89.4 m -58.58 -41.24 85.3 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.516 -0.765 . . . . 0.0 110.209 173.82 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1947 ' ' LYS . . . . . 0.535 ' HG3' ' HB2' ' A' 1875 ' ' SER . 30.4 ttpt -63.12 -44.32 95.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.782 -0.644 . . . . 0.0 110.415 179.031 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1948 ' ' LYS . . . . . 0.493 ' HE2' ' HA ' ' A' 1948 ' ' LYS . 8.8 mmpt? -55.76 -51.12 68.48 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.545 179.76 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1949 ' ' GLU . . . . . 0.467 ' HG3' ' O ' ' A' 1945 ' ' TYR . 24.9 mt-10 -66.02 -28.62 69.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.109 -177.122 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1950 ' ' LEU . . . . . 0.591 HD11 HD22 ' A' 1882 ' ' LEU . 7.5 tt -61.83 -52.03 65.81 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.518 -0.549 . . . . 0.0 109.518 176.684 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1951 ' ' ILE . . . . . 0.597 ' HA ' HG12 ' A' 1872 ' ' VAL . 1.9 mp -63.49 -44.18 98.67 Favored 'Isoleucine or valine' 0 C--O 1.235 0.322 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.442 177.483 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1952 ' ' GLU . . . . . . . . . . . . . 28.7 mm-40 -64.81 -24.69 67.63 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.883 -0.599 . . . . 0.0 112.084 -177.591 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1953 ' ' CYS . . . . . . . . . . . . . 7.4 t -88.47 -42.92 11.81 Favored 'General case' 0 C--N 1.323 -0.547 0 C-N-CA 120.999 -0.28 . . . . 0.0 110.55 179.538 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1954 ' ' ALA . . . . . 0.406 ' O ' HG22 ' A' 1957 ' ' VAL . . . -62.07 -37.28 84.41 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.641 -177.482 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1955 ' ' ARG . . . . . . . . . . . . . 8.3 ptp180 -59.39 -26.95 65.56 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.984 0.421 . . . . 0.0 110.835 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1956 ' ' ARG . . . . . 0.645 ' O ' ' HG3' ' A' 1960 ' ' LYS . 27.9 mtt180 -81.7 -31.79 31.99 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.674 -176.796 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1957 ' ' VAL . . . . . 0.535 ' O ' HG13 ' A' 1961 ' ' VAL . 5.0 m -83.61 -23.51 8.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 C-N-CA 120.591 -0.444 . . . . 0.0 111.326 -175.36 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1958 ' ' SER . . . . . 0.66 ' O ' HG22 ' A' 1961 ' ' VAL . 18.7 m -59.7 -34.66 73.18 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-O 120.968 0.413 . . . . 0.0 110.979 179.522 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1959 ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -81.35 -26.25 35.7 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.704 0.288 . . . . 0.0 110.638 176.531 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1960 ' ' LYS . . . . . 0.645 ' HG3' ' O ' ' A' 1956 ' ' ARG . 57.9 mttm -67.96 -30.62 69.95 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.616 -0.266 . . . . 0.0 110.506 -179.554 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1961 ' ' VAL . . . . . 0.768 HG21 ' HB2' ' A' 1865 ' ' ALA . 2.5 m -65.35 -35.68 75.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 N-CA-C 109.095 -0.705 . . . . 0.0 109.095 175.026 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1962 ' ' SER . . . . . 0.596 ' HA ' HD12 ' A' 1965 ' ' LEU . 50.5 m -71.58 -24.66 61.95 Favored 'General case' 0 N--CA 1.45 -0.45 0 CA-C-N 114.93 -1.032 . . . . 0.0 110.186 177.487 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1963 ' ' HIS . . . . . 0.5 ' HB3' ' CD ' ' A' 1919 ' ' ARG . 59.0 m170 -73.83 -33.16 64.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.294 178.881 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1964 ' ' VAL . . . . . . . . . . . . . 96.4 t -66.38 -41.0 88.08 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.22 0 N-CA-C 109.188 -0.671 . . . . 0.0 109.188 174.1 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1965 ' ' LEU . . . . . 0.596 HD12 ' HA ' ' A' 1962 ' ' SER . 66.7 mt -58.69 -50.11 75.1 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.269 -0.878 . . . . 0.0 110.57 177.6 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1966 ' ' ALA . . . . . . . . . . . . . . . -68.71 -38.53 80.32 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.955 -0.566 . . . . 0.0 112.264 -176.16 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1967 ' ' ALA . . . . . . . . . . . . . . . -61.14 -41.15 96.22 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-O 121.202 0.525 . . . . 0.0 111.173 178.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1968 ' ' LEU . . . . . 0.847 ' HB3' ' HG3' ' A' 1854 ' ' GLN . 4.9 mp -71.78 -39.6 69.82 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.714 -0.675 . . . . 0.0 111.217 -179.479 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1969 ' ' GLN . . . . . . . . . . . . . 66.9 mt-30 -90.63 33.18 0.92 Allowed 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.546 -178.053 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1970 ' ' ALA . . . . . . . . . . . . . . . -104.4 40.59 1.44 Allowed 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.961 -178.738 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1971 ' ' GLY . . . . . . . . . . . . . . . -78.24 -161.79 18.64 Favored Glycine 0 N--CA 1.448 -0.508 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.425 -179.005 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1972 ' ' ASN . . . . . . . . . . . . . 28.1 p-10 -66.26 -26.56 67.41 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.028 0.442 . . . . 0.0 111.059 -179.846 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1973 ' ' ARG . . . . . . . . . . . . . 35.2 ttm180 . . . . . 0 C--O 1.247 0.96 0 CA-C-O 118.564 -0.731 . . . . 0.0 110.23 -178.683 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A 1837 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.852 0 N-CA-C 112.157 -0.377 . . . . 0.0 112.157 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A 1838 ' ' ILE . . . . . . . . . . . . . 8.2 tp -161.73 125.66 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 N-CA-C 109.629 -0.508 . . . . 0.0 109.629 178.851 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1839 ' ' ASP . . . . . . . . . . . . . 11.8 t70 -96.73 130.97 28.97 Favored Pre-proline 0 C--N 1.323 -0.58 0 C-N-CA 120.734 -0.386 . . . . 0.0 110.084 -178.863 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1840 ' ' PRO . . . . . . . . . . . . . 49.7 Cg_endo -69.64 -21.77 33.59 Favored 'Trans proline' 0 CA--C 1.532 0.395 0 C-N-CA 122.886 2.39 . . . . 0.0 114.14 -174.266 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1841 ' ' PHE . . . . . . . . . . . . . 83.4 m-85 -130.19 -37.57 1.45 Allowed 'General case' 0 C--N 1.332 -0.184 0 N-CA-C 113.107 0.78 . . . . 0.0 113.107 -173.307 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1842 ' ' THR . . . . . . . . . . . . . 55.6 p -101.06 163.72 12.15 Favored 'General case' 0 C--N 1.322 -0.598 0 C-N-CA 120.653 -0.419 . . . . 0.0 110.984 -178.687 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1843 ' ' MET . . . . . . . . . . . . . 1.3 pmm? -93.61 141.83 28.04 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.144 178.813 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1844 ' ' GLY . . . . . 0.698 ' HA2' HG21 ' A' 1851 ' ' VAL . . . 101.51 178.29 28.49 Favored Glycine 0 N--CA 1.447 -0.615 0 C-N-CA 120.679 -0.772 . . . . 0.0 113.234 175.623 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1845 ' ' ASP . . . . . 0.419 ' OD2' ' HD3' ' A' 1973 ' ' ARG . 15.1 t70 -145.22 152.12 49.82 Favored Pre-proline 0 C--N 1.324 -0.53 0 N-CA-C 107.489 -1.301 . . . . 0.0 107.489 179.467 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1846 ' ' PRO . . . . . . . . . . . . . 32.6 Cg_exo -62.68 42.84 0.09 OUTLIER 'Trans proline' 0 N--CA 1.482 0.82 0 C-N-CA 123.348 2.699 . . . . 0.0 115.059 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1847 ' ' GLU . . . . . 0.41 ' OE2' HG13 ' A' 1851 ' ' VAL . 1.1 pp20? -106.32 -19.09 13.8 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.246 0.546 . . . . 0.0 110.411 172.372 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1848 ' ' GLY . . . . . . . . . . . . . . . 136.76 -90.59 0.21 Allowed Glycine 0 N--CA 1.444 -0.818 0 CA-C-N 115.641 -0.709 . . . . 0.0 112.144 -178.092 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1849 ' ' SER . . . . . . . . . . . . . 37.5 m -153.83 7.25 0.34 Allowed 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 111.721 0.267 . . . . 0.0 111.721 -177.061 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1850 ' ' PHE . . . . . 0.413 ' HA ' ' HD1' ' A' 1853 ' ' TYR . 87.2 t80 -64.65 -20.53 66.34 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.698 0.285 . . . . 0.0 111.207 -172.394 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1851 ' ' VAL . . . . . 0.698 HG21 ' HA2' ' A' 1844 ' ' GLY . 23.2 m -52.94 -35.02 21.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.159 -0.473 . . . . 0.0 112.215 -179.278 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1852 ' ' ASP . . . . . . . . . . . . . 32.2 t70 -78.04 -45.55 23.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.025 0.441 . . . . 0.0 110.619 -179.795 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1853 ' ' TYR . . . . . 0.595 ' O ' ' HG3' ' A' 1857 ' ' MET . 75.9 m-85 -61.29 -36.72 80.85 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.364 -179.874 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1854 ' ' GLN . . . . . 0.828 ' HG3' ' HB3' ' A' 1968 ' ' LEU . 23.9 tt0 -62.81 -57.69 10.0 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.507 174.751 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1855 ' ' THR . . . . . 0.539 ' O ' ' HG2' ' A' 1859 ' ' ARG . 30.6 m -57.55 -41.52 81.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.877 -173.873 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1856 ' ' THR . . . . . 0.477 HG22 ' O ' ' A' 1853 ' ' TYR . 13.8 t -60.3 -41.58 93.72 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.739 0.305 . . . . 0.0 111.416 -176.246 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1857 ' ' MET . . . . . 0.738 ' HG2' ' HB2' ' A' 1899 ' ' GLN . 4.0 mtp -82.55 -31.2 29.22 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 120.688 -0.405 . . . . 0.0 110.874 -175.605 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1858 ' ' VAL . . . . . 0.483 HG13 ' O ' ' A' 1854 ' ' GLN . 15.1 m -66.48 -35.28 74.5 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.283 0 C-N-CA 120.109 -0.636 . . . . 0.0 110.077 178.145 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1859 ' ' ARG . . . . . 0.539 ' HG2' ' O ' ' A' 1855 ' ' THR . 22.0 mmm180 -64.22 -37.68 88.35 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 121.225 0.536 . . . . 0.0 109.66 175.489 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1860 ' ' THR . . . . . 0.519 ' O ' HG13 ' A' 1864 ' ' ILE . 30.7 m -70.78 -45.29 64.95 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.262 -0.881 . . . . 0.0 111.075 -179.687 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1861 ' ' ALA . . . . . 0.424 ' HB1' ' HB ' ' A' 1961 ' ' VAL . . . -60.03 -41.47 92.3 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.19 -179.185 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1862 ' ' LYS . . . . . . . . . . . . . 54.8 mttm -67.1 -28.97 68.61 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.638 178.389 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1863 ' ' ALA . . . . . 0.407 ' O ' HG12 ' A' 1866 ' ' VAL . . . -73.85 -37.68 64.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.35 176.566 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1864 ' ' ILE . . . . . 0.832 HG12 ' HB3' ' A' 1892 ' ' ASP . 61.6 mt -64.26 -43.15 97.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-O 121.092 0.472 . . . . 0.0 110.013 175.413 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1865 ' ' ALA . . . . . 0.76 ' HB2' HG21 ' A' 1961 ' ' VAL . . . -58.06 -46.58 85.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.537 -0.756 . . . . 0.0 112.068 -177.462 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1866 ' ' VAL . . . . . 0.407 HG12 ' O ' ' A' 1863 ' ' ALA . 11.6 p -64.21 -34.33 68.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 C-N-CA 120.597 -0.441 . . . . 0.0 110.606 -178.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1867 ' ' THR . . . . . 0.715 ' O ' ' HG3' ' A' 1871 ' ' MET . 68.9 m -65.43 -51.82 57.54 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.552 -0.294 . . . . 0.0 110.832 178.222 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1868 ' ' VAL . . . . . 0.494 HG13 ' O ' ' A' 1864 ' ' ILE . 4.7 m -65.96 -32.2 57.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-O 121.375 0.607 . . . . 0.0 110.854 -176.686 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1869 ' ' GLN . . . . . 0.419 ' HB3' ' O ' ' A' 1865 ' ' ALA . 0.0 OUTLIER -72.34 -31.24 65.47 Favored 'General case' 0 N--CA 1.443 -0.811 0 CA-C-N 115.37 -0.832 . . . . 0.0 109.695 177.894 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A 1870 ' ' GLU . . . . . 0.617 ' O ' ' HG2' ' A' 1874 ' ' LYS . 23.5 mt-10 -66.95 -47.8 70.54 Favored 'General case' 0 C--O 1.22 -0.448 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.2 170.477 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1871 ' ' MET . . . . . 0.715 ' HG3' ' O ' ' A' 1867 ' ' THR . 59.7 mtp -52.81 -42.59 65.25 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.904 -174.547 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1872 ' ' VAL . . . . . 0.591 HG12 ' HA ' ' A' 1951 ' ' ILE . 29.5 m -70.43 -35.83 63.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 C-N-CA 120.797 -0.361 . . . . 0.0 111.231 178.757 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1873 ' ' THR . . . . . . . . . . . . . 94.6 m -70.08 -40.03 75.24 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 121.35 0.595 . . . . 0.0 110.463 178.412 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1874 ' ' LYS . . . . . 0.617 ' HG2' ' O ' ' A' 1870 ' ' GLU . 31.2 mmtp -74.97 -17.51 60.53 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.522 -0.763 . . . . 0.0 111.353 -176.092 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1875 ' ' SER . . . . . 0.415 ' HA ' HD11 ' A' 1882 ' ' LEU . 85.2 p -63.48 -16.28 60.22 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.166 0.507 . . . . 0.0 110.916 -179.144 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1876 ' ' ASN . . . . . . . . . . . . . 77.2 m-20 -85.52 -60.53 2.0 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.258 -178.121 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1877 ' ' THR . . . . . . . . . . . . . 33.6 p -118.19 2.52 11.99 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 112.678 0.621 . . . . 0.0 112.678 -171.834 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1878 ' ' SER . . . . . 0.476 ' HB3' ' HG2' ' A' 1881 ' ' GLU . 66.6 m -141.8 54.87 4.34 Favored Pre-proline 0 C--N 1.324 -0.534 0 N-CA-C 112.857 0.688 . . . . 0.0 112.857 -172.379 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1879 ' ' PRO . . . . . 0.978 ' HA ' HD12 ' A' 1882 ' ' LEU . 87.1 Cg_endo -78.8 -4.03 13.71 Favored 'Trans proline' 0 N--CA 1.454 -0.82 0 C-N-CA 121.028 1.152 . . . . 0.0 111.779 -177.506 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1880 ' ' GLU . . . . . . . . . . . . . 20.5 mm-40 -79.6 -45.08 19.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.006 178.629 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1881 ' ' GLU . . . . . 0.476 ' HG2' ' HB3' ' A' 1878 ' ' SER . 11.4 pt-20 -77.04 -11.83 59.86 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-O 121.142 0.496 . . . . 0.0 111.175 -178.284 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1882 ' ' LEU . . . . . 0.978 HD12 ' HA ' ' A' 1879 ' ' PRO . 1.9 mt -60.29 -27.37 67.23 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.603 -0.726 . . . . 0.0 112.25 179.594 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1883 ' ' GLY . . . . . . . . . . . . . . . -62.29 -60.77 7.41 Favored Glycine 0 CA--C 1.519 0.332 0 C-N-CA 120.519 -0.848 . . . . 0.0 111.747 174.764 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1884 ' ' PRO . . . . . . . . . . . . . 53.6 Cg_exo -50.19 -39.72 51.8 Favored 'Trans proline' 0 C--N 1.345 0.386 0 C-N-CA 122.791 2.327 . . . . 0.0 112.609 172.279 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1885 ' ' LEU . . . . . . . . . . . . . 33.7 mt -63.83 -36.82 85.16 Favored 'General case' 0 C--O 1.231 0.09 0 CA-C-O 120.643 0.259 . . . . 0.0 111.209 179.785 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1886 ' ' ALA . . . . . . . . . . . . . . . -65.27 -42.08 93.58 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.193 0.521 . . . . 0.0 110.343 176.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1887 ' ' ASN . . . . . . . . . . . . . 6.8 m-20 -65.42 -37.45 86.97 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.331 0.586 . . . . 0.0 109.762 176.656 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1888 ' ' GLN . . . . . . . . . . . . . 59.5 tp60 -62.11 -48.83 78.41 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.104 -0.953 . . . . 0.0 110.583 178.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1889 ' ' LEU . . . . . 0.415 HD12 ' SD ' ' A' 1871 ' ' MET . 0.5 OUTLIER -58.68 -43.25 89.89 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.291 0.567 . . . . 0.0 109.541 177.799 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A 1890 ' ' THR . . . . . . . . . . . . . 76.4 m -60.4 -40.09 89.72 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.34 -0.846 . . . . 0.0 111.077 178.647 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1891 ' ' SER . . . . . . . . . . . . . 30.3 t -71.59 -47.32 55.54 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.794 179.204 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1892 ' ' ASP . . . . . 0.832 ' HB3' HG12 ' A' 1864 ' ' ILE . 17.5 m-20 -59.12 -41.94 89.4 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.571 -178.167 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1893 ' ' TYR . . . . . . . . . . . . . 42.7 t80 -61.92 -40.29 94.98 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 120.909 -0.316 . . . . 0.0 111.104 -179.491 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1894 ' ' GLY . . . . . . . . . . . . . . . -57.74 -42.95 94.69 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.831 -0.7 . . . . 0.0 111.876 179.323 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1895 ' ' ARG . . . . . . . . . . . . . 67.3 ttt180 -61.17 -44.21 97.67 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.096 0.474 . . . . 0.0 110.457 178.223 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1896 ' ' LEU . . . . . 0.781 HD11 HG11 ' A' 1964 ' ' VAL . 43.7 tp -64.3 -57.28 9.86 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.751 -0.659 . . . . 0.0 111.724 -178.137 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1897 ' ' ALA . . . . . . . . . . . . . . . -60.32 -23.2 64.03 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.718 -0.674 . . . . 0.0 112.357 -173.229 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1898 ' ' SER . . . . . . . . . . . . . 55.6 m -80.91 -24.42 38.23 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 121.085 0.469 . . . . 0.0 110.752 -172.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1899 ' ' GLN . . . . . 0.738 ' HB2' ' HG2' ' A' 1857 ' ' MET . 0.0 OUTLIER -84.1 -11.3 56.87 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.204 -179.778 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A 1900 ' ' ALA . . . . . . . . . . . . . . . -69.06 -30.75 69.15 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.043 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1901 ' ' LYS . . . . . 0.654 ' HB3' ' HD3' ' A' 1902 ' ' PRO . 8.2 tmtt? -64.53 -57.0 18.58 Favored Pre-proline 0 CA--C 1.538 0.507 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.597 -178.759 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1902 ' ' PRO . . . . . 0.654 ' HD3' ' HB3' ' A' 1901 ' ' LYS . 15.6 Cg_exo -69.03 -30.44 25.68 Favored 'Trans proline' 0 C--N 1.354 0.863 0 C-N-CA 121.871 1.714 . . . . 0.0 112.345 179.834 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1903 ' ' ALA . . . . . . . . . . . . . . . -66.38 -36.26 82.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.835 0.35 . . . . 0.0 111.344 -178.773 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1904 ' ' ALA . . . . . . . . . . . . . . . -70.14 -32.11 69.94 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.767 -175.576 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1905 ' ' VAL . . . . . . . . . . . . . 34.1 m -94.57 -7.31 10.03 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.471 -176.29 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1906 ' ' ALA . . . . . . . . . . . . . . . -100.98 -7.59 23.19 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.815 0.34 . . . . 0.0 111.252 -179.518 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1907 ' ' ALA . . . . . . . . . . . . . . . -84.82 144.97 28.1 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.55 179.699 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1908 ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -86.25 -12.44 49.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.162 178.14 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1909 ' ' ASN . . . . . 0.511 ' HB3' HG13 ' A' 1912 ' ' ILE . 50.1 t-20 -109.96 131.75 54.77 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 109.822 -0.436 . . . . 0.0 109.822 -179.091 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1910 ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -53.31 -52.16 60.02 Favored 'General case' 0 C--N 1.328 -0.341 0 O-C-N 123.877 0.735 . . . . 0.0 111.474 179.487 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1911 ' ' GLU . . . . . . . . . . . . . 13.0 mt-10 -66.13 -31.93 73.08 Favored 'General case' 0 N--CA 1.448 -0.55 0 CA-C-N 115.734 -0.666 . . . . 0.0 112.133 -171.67 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1912 ' ' ILE . . . . . 0.563 ' O ' HG13 ' A' 1916 ' ' ILE . 63.7 mt -57.84 -53.69 41.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 C-N-CA 120.61 -0.436 . . . . 0.0 110.093 179.125 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1913 ' ' GLY . . . . . . . . . . . . . . . -67.13 -29.05 73.98 Favored Glycine 0 N--CA 1.449 -0.487 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.175 -179.359 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1914 ' ' ALA . . . . . . . . . . . . . . . -74.38 -48.61 26.85 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.656 0.265 . . . . 0.0 110.856 -178.645 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1915 ' ' HIS . . . . . . . . . . . . . 70.1 m-70 -59.42 -38.9 81.83 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.317 -177.048 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1916 ' ' ILE . . . . . 0.563 HG13 ' O ' ' A' 1912 ' ' ILE . 82.9 mt -53.02 -55.62 11.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.967 178.708 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1917 ' ' LYS . . . . . 0.442 ' HA ' HG22 ' A' 1920 ' ' VAL . 48.4 mtmt -67.25 -24.65 65.82 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.8 -0.636 . . . . 0.0 112.032 -176.109 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1918 ' ' HIS . . . . . . . . . . . . . 74.4 m-70 -78.13 -34.96 49.62 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.039 0.447 . . . . 0.0 110.858 177.633 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1919 ' ' ARG . . . . . 0.481 ' CD ' ' HB3' ' A' 1963 ' ' HIS . 24.7 mmt180 -81.01 -32.95 33.97 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.848 -176.554 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1920 ' ' VAL . . . . . 0.442 HG22 ' HA ' ' A' 1917 ' ' LYS . 35.5 m -70.27 -24.35 25.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 C-N-CA 120.51 -0.476 . . . . 0.0 110.057 175.869 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1921 ' ' GLN . . . . . . . . . . . . . 30.2 tt0 -66.06 -36.38 83.06 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.091 -0.504 . . . . 0.0 109.947 175.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1922 ' ' GLU . . . . . 0.96 ' HB3' ' HD3' ' A' 1960 ' ' LYS . 33.4 mt-10 -58.26 -52.7 64.46 Favored 'General case' 0 CA--C 1.521 -0.164 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.251 175.104 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1923 ' ' LEU . . . . . 0.414 ' CD2' ' HB ' ' A' 1957 ' ' VAL . 69.8 mt -65.35 -23.71 67.06 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.411 -0.813 . . . . 0.0 111.33 -179.54 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1924 ' ' GLY . . . . . . . . . . . . . . . -63.09 -53.52 39.64 Favored Glycine 0 N--CA 1.448 -0.549 0 C-N-CA 120.719 -0.753 . . . . 0.0 111.739 176.325 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1925 ' ' HIS . . . . . . . . . . . . . 38.6 m80 -74.65 -30.48 61.63 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.838 0.352 . . . . 0.0 110.351 179.817 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1926 ' ' GLY . . . . . . . . . . . . . . . -67.39 -41.46 90.94 Favored Glycine 0 N--CA 1.448 -0.518 0 C-N-CA 120.867 -0.683 . . . . 0.0 112.151 177.274 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1927 ' ' CYS . . . . . . . . . . . . . 52.6 t -62.61 -52.27 64.01 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 110.426 -0.213 . . . . 0.0 110.426 179.057 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1928 ' ' SER . . . . . . . . . . . . . 10.4 p -60.33 -35.92 76.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.905 0.383 . . . . 0.0 111.121 -178.203 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1929 ' ' ALA . . . . . . . . . . . . . . . -68.78 -50.91 46.49 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.705 177.36 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1930 ' ' LEU . . . . . 0.549 HD11 ' HB2' ' A' 1954 ' ' ALA . 0.6 OUTLIER -62.57 -48.07 81.06 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.76 -0.654 . . . . 0.0 111.102 -175.84 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A 1931 ' ' VAL . . . . . . . . . . . . . 22.9 m -64.96 -27.87 43.43 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-O 120.726 0.298 . . . . 0.0 111.457 -176.272 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1932 ' ' THR . . . . . . . . . . . . . 89.0 m -71.91 -43.49 65.25 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.993 0.425 . . . . 0.0 110.06 175.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1933 ' ' LYS . . . . . . . . . . . . . 31.7 mmtp -69.33 -37.25 77.62 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.661 179.711 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1934 ' ' ALA . . . . . 0.416 ' HA ' HD12 ' A' 1950 ' ' LEU . . . -62.67 -46.93 85.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.741 176.253 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1935 ' ' GLY . . . . . . . . . . . . . . . -63.92 -40.1 97.97 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.889 -0.672 . . . . 0.0 111.907 178.293 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1936 ' ' ALA . . . . . . . . . . . . . . . -65.15 -37.15 86.48 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.771 0.32 . . . . 0.0 111.214 178.446 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1937 ' ' LEU . . . . . 0.507 ' HB2' HG22 ' A' 1946 ' ' THR . 49.1 tp -71.96 -31.62 66.48 Favored 'General case' 0 CA--C 1.515 -0.367 0 CA-C-O 120.826 0.346 . . . . 0.0 110.473 179.342 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1938 ' ' GLN . . . . . 0.588 ' HG3' ' O ' ' A' 1879 ' ' PRO . 5.2 tt0 -68.88 -26.31 65.06 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.373 0.606 . . . . 0.0 109.423 178.017 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1939 ' ' CYS . . . . . . . . . . . . . 49.5 t -81.25 -40.53 23.6 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.491 175.896 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1940 ' ' SER . . . . . . . . . . . . . 72.2 m -132.07 86.76 46.09 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.19 179.344 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1941 ' ' PRO . . . . . . . . . . . . . 3.3 Cg_exo -78.76 -13.32 14.58 Favored 'Trans proline' 0 C--N 1.344 0.307 0 C-N-CA 123.218 2.612 . . . . 0.0 112.579 -179.263 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1942 ' ' SER . . . . . . . . . . . . . 16.2 m -88.54 -4.68 58.55 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.186 0.517 . . . . 0.0 110.306 -179.363 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1943 ' ' ASP . . . . . . . . . . . . . 19.6 t70 -90.98 117.96 29.98 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.7 -0.682 . . . . 0.0 109.772 177.798 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1944 ' ' VAL . . . . . 0.428 ' O ' ' HG2' ' A' 1948 ' ' LYS . 6.0 p -75.57 -30.7 22.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-N 116.422 -0.353 . . . . 0.0 110.875 -175.475 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1945 ' ' TYR . . . . . . . . . . . . . 96.4 m-85 -60.57 -49.65 76.67 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.802 0.334 . . . . 0.0 110.761 -176.84 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1946 ' ' THR . . . . . 0.507 HG22 ' HB2' ' A' 1937 ' ' LEU . 27.7 m -58.15 -40.55 81.65 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.658 177.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1947 ' ' LYS . . . . . 0.411 ' O ' HD13 ' A' 1951 ' ' ILE . 6.0 ttpp -65.42 -45.3 84.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.757 -0.656 . . . . 0.0 109.936 179.175 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1948 ' ' LYS . . . . . 0.491 ' HE2' ' HA ' ' A' 1948 ' ' LYS . 8.4 mmpt? -58.68 -48.9 79.51 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.209 179.24 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1949 ' ' GLU . . . . . . . . . . . . . 49.8 mm-40 -53.6 -45.24 69.97 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.514 -0.766 . . . . 0.0 111.337 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1950 ' ' LEU . . . . . 0.416 HD12 ' HA ' ' A' 1934 ' ' ALA . 7.2 tt -58.89 -45.24 90.72 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.271 179.836 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1951 ' ' ILE . . . . . 0.591 ' HA ' HG12 ' A' 1872 ' ' VAL . 1.7 mp -62.64 -41.83 93.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.617 177.802 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1952 ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -67.79 -22.46 65.19 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.943 -178.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1953 ' ' CYS . . . . . . . . . . . . . 86.0 m -86.21 -52.16 5.82 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.428 -178.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1954 ' ' ALA . . . . . 0.549 ' HB2' HD11 ' A' 1930 ' ' LEU . . . -65.88 -33.68 76.38 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 111.613 0.227 . . . . 0.0 111.613 -176.392 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1955 ' ' ARG . . . . . . . . . . . . . 17.0 ptm180 -60.81 -32.26 71.63 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.9 0.381 . . . . 0.0 110.162 178.36 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1956 ' ' ARG . . . . . 0.506 ' O ' ' HG3' ' A' 1960 ' ' LYS . 90.7 mtt180 -75.77 -49.89 16.83 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.513 -179.748 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1957 ' ' VAL . . . . . 0.629 ' O ' HG13 ' A' 1961 ' ' VAL . 10.4 m -67.07 -26.39 36.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.588 -174.81 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1958 ' ' SER . . . . . 0.625 ' O ' HG22 ' A' 1961 ' ' VAL . 28.7 t -60.36 -32.26 71.11 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-O 121.072 0.463 . . . . 0.0 110.42 176.877 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1959 ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -81.86 -32.54 31.05 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 122.081 -0.387 . . . . 0.0 111.001 173.857 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1960 ' ' LYS . . . . . 0.96 ' HD3' ' HB3' ' A' 1922 ' ' GLU . 60.8 mttm -64.59 -33.36 75.75 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.497 -179.309 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1961 ' ' VAL . . . . . 0.76 HG21 ' HB2' ' A' 1865 ' ' ALA . 5.4 m -67.71 -34.77 69.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 N-CA-C 109.694 -0.484 . . . . 0.0 109.694 174.529 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1962 ' ' SER . . . . . 0.6 ' HA ' HD12 ' A' 1965 ' ' LEU . 29.9 t -69.65 -28.13 65.63 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.736 -0.665 . . . . 0.0 109.911 176.719 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1963 ' ' HIS . . . . . 0.481 ' HB3' ' CD ' ' A' 1919 ' ' ARG . 51.6 m170 -70.15 -34.48 73.07 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.27 178.805 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1964 ' ' VAL . . . . . 0.781 HG11 HD11 ' A' 1896 ' ' LEU . 77.7 t -67.45 -42.61 87.35 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.116 0 N-CA-C 109.136 -0.69 . . . . 0.0 109.136 173.469 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1965 ' ' LEU . . . . . 0.622 ' HG ' ' O ' ' A' 1961 ' ' VAL . 76.1 mt -57.23 -45.55 83.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.312 -0.858 . . . . 0.0 110.465 177.513 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1966 ' ' ALA . . . . . . . . . . . . . . . -69.05 -41.71 77.25 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.553 -179.392 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1967 ' ' ALA . . . . . . . . . . . . . . . -60.63 -42.64 97.31 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.029 0.442 . . . . 0.0 110.996 178.761 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1968 ' ' LEU . . . . . 0.828 ' HB3' ' HG3' ' A' 1854 ' ' GLN . 91.9 mt -71.87 -33.28 68.26 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.225 -179.711 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1969 ' ' GLN . . . . . . . . . . . . . 48.7 mt-30 -89.54 12.54 16.33 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.655 0.264 . . . . 0.0 111.299 -178.872 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1970 ' ' ALA . . . . . . . . . . . . . . . -74.75 -7.24 52.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.476 0.655 . . . . 0.0 109.952 174.245 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1971 ' ' GLY . . . . . . . . . . . . . . . -94.12 19.43 53.29 Favored Glycine 0 N--CA 1.445 -0.718 0 CA-C-N 115.474 -0.785 . . . . 0.0 111.736 175.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1972 ' ' ASN . . . . . . . . . . . . . 22.4 p-10 -78.78 175.12 10.76 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.955 -0.387 . . . . 0.0 109.955 177.83 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1973 ' ' ARG . . . . . 0.441 HH11 ' HD3' ' A' 1973 ' ' ARG . 0.7 OUTLIER . . . . . 0 C--O 1.246 0.915 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.102 -176.67 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1837 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.522 0 N-CA-C 112.084 -0.406 . . . . 0.0 112.084 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A 1838 ' ' ILE . . . . . . . . . . . . . 49.5 mt -130.56 122.25 52.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-O 120.9 0.381 . . . . 0.0 110.49 178.696 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1839 ' ' ASP . . . . . 0.472 ' HA ' ' HD3' ' A' 1840 ' ' PRO . 9.0 m-20 -73.88 141.01 78.08 Favored Pre-proline 0 C--N 1.324 -0.507 0 CA-C-N 115.683 -0.689 . . . . 0.0 110.242 177.765 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1840 ' ' PRO . . . . . 0.472 ' HD3' ' HA ' ' A' 1839 ' ' ASP . 2.2 Cg_endo -85.47 21.77 1.04 Allowed 'Trans proline' 0 N--CA 1.457 -0.662 0 C-N-CA 123.436 2.757 . . . . 0.0 112.072 -178.671 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1841 ' ' PHE . . . . . . . . . . . . . 30.5 t80 -75.94 121.95 23.45 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.408 -176.425 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1842 ' ' THR . . . . . . . . . . . . . 72.6 p 50.02 77.89 0.11 Allowed 'General case' 0 C--N 1.329 -0.287 0 O-C-N 123.983 0.802 . . . . 0.0 111.643 -178.409 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1843 ' ' MET . . . . . . . . . . . . . 75.9 mtp 61.01 79.49 0.25 Allowed 'General case' 0 C--O 1.233 0.193 0 CA-C-N 115.032 -0.985 . . . . 0.0 111.159 -179.275 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1844 ' ' GLY . . . . . . . . . . . . . . . -140.51 131.04 4.82 Favored Glycine 0 N--CA 1.446 -0.639 0 C-N-CA 120.858 -0.687 . . . . 0.0 111.968 -179.459 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1845 ' ' ASP . . . . . . . . . . . . . 34.2 t70 -115.06 121.92 34.33 Favored Pre-proline 0 C--N 1.321 -0.653 0 N-CA-C 110.092 -0.336 . . . . 0.0 110.092 179.479 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1846 ' ' PRO . . . . . . . . . . . . . 11.6 Cg_endo -57.27 -70.11 0.04 OUTLIER 'Trans proline' 0 CA--C 1.529 0.264 0 C-N-CA 123.423 2.749 . . . . 0.0 113.124 -174.024 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1847 ' ' GLU . . . . . 0.718 ' HB3' ' HG2' ' A' 1908 ' ' GLU . 0.5 OUTLIER -117.08 112.97 21.64 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.497 0.665 . . . . 0.0 110.49 178.481 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A 1848 ' ' GLY . . . . . . . . . . . . . . . -82.22 151.47 29.96 Favored Glycine 0 N--CA 1.448 -0.541 0 CA-C-N 115.461 -0.791 . . . . 0.0 113.271 -172.25 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1849 ' ' SER . . . . . . . . . . . . . 52.2 m 74.06 -11.09 1.02 Allowed 'General case' 0 N--CA 1.465 0.294 0 C-N-CA 123.573 0.749 . . . . 0.0 112.266 177.154 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1850 ' ' PHE . . . . . . . . . . . . . 63.6 t80 -61.31 -29.46 69.89 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.408 0.623 . . . . 0.0 109.424 173.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1851 ' ' VAL . . . . . . . . . . . . . 9.3 m -62.99 -29.29 46.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 114.897 -1.047 . . . . 0.0 111.75 -177.439 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1852 ' ' ASP . . . . . . . . . . . . . 26.9 m-20 -71.41 -49.74 38.9 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.107 0.479 . . . . 0.0 110.205 -178.35 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1853 ' ' TYR . . . . . 0.651 ' O ' HG22 ' A' 1856 ' ' THR . 49.1 m-85 -70.91 -33.48 70.58 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.037 -179.754 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1854 ' ' GLN . . . . . 0.981 ' HG3' ' HB3' ' A' 1968 ' ' LEU . 45.2 tt0 -57.72 -59.26 5.48 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.087 177.464 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1855 ' ' THR . . . . . 0.729 ' O ' ' HG2' ' A' 1859 ' ' ARG . 27.2 m -59.01 -34.87 72.38 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.577 -0.738 . . . . 0.0 111.781 -174.245 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1856 ' ' THR . . . . . 0.651 HG22 ' O ' ' A' 1853 ' ' TYR . 5.8 t -69.2 -45.41 69.96 Favored 'General case' 0 C--N 1.323 -0.554 0 C-N-CA 120.857 -0.337 . . . . 0.0 111.562 -174.551 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1857 ' ' MET . . . . . 0.462 ' HB2' HD12 ' A' 1896 ' ' LEU . 9.9 ptm -81.58 -26.95 34.53 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 111.857 0.318 . . . . 0.0 111.857 -173.142 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1858 ' ' VAL . . . . . 0.435 HG13 ' O ' ' A' 1854 ' ' GLN . 19.9 m -66.07 -29.26 46.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 C-N-CA 119.874 -0.73 . . . . 0.0 109.53 174.86 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1859 ' ' ARG . . . . . 0.729 ' HG2' ' O ' ' A' 1855 ' ' THR . 8.0 mmt180 -73.5 -41.45 63.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.122 176.771 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1860 ' ' THR . . . . . 0.431 ' O ' HG13 ' A' 1864 ' ' ILE . 5.9 m -64.4 -37.21 86.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.987 -0.552 . . . . 0.0 110.939 178.481 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1861 ' ' ALA . . . . . 0.443 ' HB1' ' HB ' ' A' 1961 ' ' VAL . . . -60.18 -41.8 93.64 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.087 0.47 . . . . 0.0 110.462 176.822 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1862 ' ' LYS . . . . . . . . . . . . . 52.9 mttm -65.49 -38.96 91.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.159 176.884 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1863 ' ' ALA . . . . . . . . . . . . . . . -62.1 -42.76 99.54 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.752 178.292 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1864 ' ' ILE . . . . . 0.583 ' O ' HG13 ' A' 1868 ' ' VAL . 58.9 mt -63.92 -45.58 96.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-O 120.921 0.391 . . . . 0.0 110.177 176.294 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1865 ' ' ALA . . . . . 0.779 ' HB2' HG21 ' A' 1961 ' ' VAL . . . -57.61 -44.79 85.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.897 -178.071 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1866 ' ' VAL . . . . . . . . . . . . . 14.6 p -67.08 -32.79 59.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 C-N-CA 120.684 -0.407 . . . . 0.0 110.38 179.853 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1867 ' ' THR . . . . . 0.622 ' O ' ' HG3' ' A' 1871 ' ' MET . 94.9 m -63.42 -53.8 46.6 Favored 'General case' 0 N--CA 1.455 -0.206 0 CA-C-N 116.688 -0.233 . . . . 0.0 110.802 176.559 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1868 ' ' VAL . . . . . 0.583 HG13 ' O ' ' A' 1864 ' ' ILE . 2.4 m -60.49 -31.89 49.95 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.242 0 CA-C-O 121.439 0.638 . . . . 0.0 110.276 -177.892 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1869 ' ' GLN . . . . . . . . . . . . . 8.7 tp-100 -75.88 -32.22 59.6 Favored 'General case' 0 N--CA 1.424 -1.751 0 CA-C-N 115.141 -0.936 . . . . 0.0 110.515 -178.586 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1870 ' ' GLU . . . . . 0.558 ' O ' ' HG2' ' A' 1874 ' ' LYS . 38.8 mt-10 -68.12 -44.88 75.14 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.264 -0.425 . . . . 0.0 109.95 171.894 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1871 ' ' MET . . . . . 0.637 ' HG2' ' HB3' ' A' 1885 ' ' LEU . 67.6 mtp -55.03 -49.89 70.43 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.471 -0.786 . . . . 0.0 111.058 -177.896 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1872 ' ' VAL . . . . . 0.55 ' HB ' HG13 ' A' 1951 ' ' ILE . 34.3 m -66.68 -30.37 49.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 C-N-CA 121.059 -0.256 . . . . 0.0 111.607 -179.279 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1873 ' ' THR . . . . . . . . . . . . . 58.8 m -68.43 -48.62 64.12 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 109.68 -0.489 . . . . 0.0 109.68 175.858 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1874 ' ' LYS . . . . . 0.558 ' HG2' ' O ' ' A' 1870 ' ' GLU . 69.5 mmtt -57.69 -34.83 69.83 Favored 'General case' 0 C--O 1.212 -0.881 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.682 177.134 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1875 ' ' SER . . . . . 0.426 ' HA ' HD11 ' A' 1882 ' ' LEU . 19.3 m -61.38 -10.71 7.87 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 112.378 0.51 . . . . 0.0 112.378 -176.817 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1876 ' ' ASN . . . . . . . . . . . . . 48.8 m-80 -93.55 -37.67 11.78 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 111.908 0.336 . . . . 0.0 111.908 -179.668 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1877 ' ' THR . . . . . . . . . . . . . 67.1 p -121.25 -24.7 5.42 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.246 0.546 . . . . 0.0 112.0 -175.775 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1878 ' ' SER . . . . . . . . . . . . . 11.7 m -132.95 85.04 47.32 Favored Pre-proline 0 N--CA 1.439 -0.999 0 CA-C-N 115.486 -0.779 . . . . 0.0 112.531 -166.151 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1879 ' ' PRO . . . . . 0.781 ' HA ' HD12 ' A' 1882 ' ' LEU . 7.3 Cg_exo -67.93 -29.35 34.59 Favored 'Trans proline' 0 C--N 1.319 -1.005 0 C-N-CA 121.405 1.404 . . . . 0.0 110.88 174.327 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1880 ' ' GLU . . . . . . . . . . . . . 43.8 mp0 -66.93 -38.11 85.56 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.147 -0.933 . . . . 0.0 111.047 -175.285 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1881 ' ' GLU . . . . . 0.416 ' HG3' ' HD2' ' A' 1874 ' ' LYS . 6.7 mm-40 -67.69 -15.93 63.89 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.761 -176.713 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1882 ' ' LEU . . . . . 0.781 HD12 ' HA ' ' A' 1879 ' ' PRO . 12.3 mt -74.22 -16.22 60.97 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.795 -176.884 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1883 ' ' GLY . . . . . . . . . . . . . . . -65.15 -61.7 5.54 Favored Glycine 0 CA--C 1.52 0.373 0 C-N-CA 120.62 -0.8 . . . . 0.0 112.374 178.156 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1884 ' ' PRO . . . . . . . . . . . . . 20.5 Cg_endo -63.34 -32.83 72.04 Favored 'Trans proline' 0 C--N 1.347 0.47 0 C-N-CA 122.441 2.094 . . . . 0.0 112.67 177.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1885 ' ' LEU . . . . . 0.637 ' HB3' ' HG2' ' A' 1871 ' ' MET . 54.7 mt -65.93 -34.91 79.19 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 111.761 0.282 . . . . 0.0 111.761 -177.887 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1886 ' ' ALA . . . . . . . . . . . . . . . -64.95 -41.7 95.27 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.135 0.493 . . . . 0.0 110.18 177.152 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1887 ' ' ASN . . . . . . . . . . . . . 87.2 m-20 -71.08 -29.51 65.39 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.062 177.563 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1888 ' ' GLN . . . . . . . . . . . . . 49.3 tp60 -65.9 -51.05 62.06 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.458 177.479 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1889 ' ' LEU . . . . . 0.423 HD12 ' SD ' ' A' 1871 ' ' MET . 1.2 tt -56.46 -46.63 80.27 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.46 0.647 . . . . 0.0 109.388 177.917 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1890 ' ' THR . . . . . . . . . . . . . 56.8 m -58.17 -35.18 71.19 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.117 -0.947 . . . . 0.0 111.16 178.684 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1891 ' ' SER . . . . . . . . . . . . . 28.9 t -69.91 -50.93 37.38 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.814 178.389 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1892 ' ' ASP . . . . . . . . . . . . . 77.2 m-20 -61.71 -41.76 98.05 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.348 -176.646 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1893 ' ' TYR . . . . . . . . . . . . . 39.1 t80 -56.94 -40.81 77.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.072 178.627 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1894 ' ' GLY . . . . . . . . . . . . . . . -57.34 -33.65 66.19 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 121.184 -0.531 . . . . 0.0 112.392 -179.041 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1895 ' ' ARG . . . . . 0.464 ' N ' ' HD2' ' A' 1895 ' ' ARG . 9.0 mpt_? -77.37 -49.96 13.78 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.649 0.261 . . . . 0.0 110.357 179.336 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1896 ' ' LEU . . . . . 0.653 HD11 HG11 ' A' 1964 ' ' VAL . 66.5 tp -55.46 -46.78 76.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.437 -177.847 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1897 ' ' ALA . . . . . . . . . . . . . . . -67.27 -27.05 66.88 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.446 -177.721 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1898 ' ' SER . . . . . . . . . . . . . 18.8 t -81.89 -29.27 32.48 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.334 0.588 . . . . 0.0 110.045 -176.166 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1899 ' ' GLN . . . . . 0.416 ' OE1' ' HA ' ' A' 1857 ' ' MET . 83.1 mt-30 -79.29 -12.06 59.94 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.397 -0.819 . . . . 0.0 110.453 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1900 ' ' ALA . . . . . 0.416 ' HA ' ' HE1' ' A' 1857 ' ' MET . . . -74.53 -35.96 63.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.677 -0.692 . . . . 0.0 111.838 -179.083 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1901 ' ' LYS . . . . . 0.513 ' HB3' ' HD3' ' A' 1902 ' ' PRO . 2.3 tmmm? -62.93 -57.75 19.87 Favored Pre-proline 0 CA--C 1.541 0.622 0 CA-C-N 116.52 -0.309 . . . . 0.0 111.144 -175.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1902 ' ' PRO . . . . . 0.513 ' HD3' ' HB3' ' A' 1901 ' ' LYS . 44.3 Cg_endo -67.46 -19.7 48.74 Favored 'Trans proline' 0 C--N 1.354 0.857 0 C-N-CA 121.934 1.756 . . . . 0.0 112.738 -177.804 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1903 ' ' ALA . . . . . . . . . . . . . . . -76.66 -33.66 58.29 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.095 0.474 . . . . 0.0 110.533 178.23 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1904 ' ' ALA . . . . . . . . . . . . . . . -71.27 -32.95 69.31 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.581 -177.092 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1905 ' ' VAL . . . . . . . . . . . . . 36.0 m -88.39 -15.69 9.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 115.639 -0.71 . . . . 0.0 110.987 179.449 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1906 ' ' ALA . . . . . . . . . . . . . . . -76.06 -43.9 41.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.271 -0.422 . . . . 0.0 109.94 176.641 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1907 ' ' ALA . . . . . . . . . . . . . . . -73.03 135.04 44.85 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.76 -0.654 . . . . 0.0 110.12 176.423 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1908 ' ' GLU . . . . . 0.718 ' HG2' ' HB3' ' A' 1847 ' ' GLU . 12.0 pt-20 -90.02 -21.1 22.53 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 120.888 0.375 . . . . 0.0 110.596 -177.565 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1909 ' ' ASN . . . . . . . . . . . . . 51.3 m-80 -76.55 144.39 39.72 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.054 0.454 . . . . 0.0 110.481 177.665 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1910 ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -60.81 -53.97 50.85 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.281 -0.872 . . . . 0.0 111.488 -177.884 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1911 ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 -68.05 -43.11 79.41 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.761 -0.654 . . . . 0.0 112.282 -171.635 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1912 ' ' ILE . . . . . 0.589 ' O ' HG13 ' A' 1916 ' ' ILE . 57.9 mt -53.67 -53.71 24.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 C-N-CA 120.927 -0.309 . . . . 0.0 110.438 -177.043 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1913 ' ' GLY . . . . . 0.578 ' HA2' HD12 ' A' 1916 ' ' ILE . . . -69.76 -28.35 72.16 Favored Glycine 0 CA--C 1.519 0.335 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.786 -179.884 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1914 ' ' ALA . . . . . . . . . . . . . . . -75.68 -40.65 55.56 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.655 0.264 . . . . 0.0 111.108 -177.161 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1915 ' ' HIS . . . . . 0.43 ' O ' ' HG2' ' A' 1919 ' ' ARG . 82.2 m-70 -67.04 -35.18 79.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.849 -179.205 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1916 ' ' ILE . . . . . 0.589 HG13 ' O ' ' A' 1912 ' ' ILE . 97.8 mt -53.35 -59.23 1.93 Allowed 'Isoleucine or valine' 0 C--O 1.233 0.219 0 CA-C-N 115.657 -0.701 . . . . 0.0 111.165 178.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1917 ' ' LYS . . . . . 0.421 ' HE3' ' HB2' ' A' 1917 ' ' LYS . 51.8 mtmt -69.66 -27.45 65.04 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.28 -177.42 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1918 ' ' HIS . . . . . 0.443 ' O ' ' HG3' ' A' 1922 ' ' GLU . 41.6 t-80 -64.93 -46.16 82.79 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.973 0.416 . . . . 0.0 110.574 -178.766 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1919 ' ' ARG . . . . . 0.43 ' HG2' ' O ' ' A' 1915 ' ' HIS . 29.6 mmt180 -71.53 -37.65 71.14 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.633 -174.778 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1920 ' ' VAL . . . . . . . . . . . . . 23.2 m -71.7 -28.84 32.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.937 0.399 . . . . 0.0 110.382 179.031 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1921 ' ' GLN . . . . . . . . . . . . . 28.9 tt0 -66.78 -42.56 85.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.972 -0.558 . . . . 0.0 109.975 175.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1922 ' ' GLU . . . . . 0.443 ' HG3' ' O ' ' A' 1918 ' ' HIS . 40.3 mt-10 -65.08 -40.25 94.39 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.27 176.277 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1923 ' ' LEU . . . . . 0.454 HD21 ' HB2' ' A' 1960 ' ' LYS . 30.0 mt -64.57 -33.15 75.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.165 177.643 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1924 ' ' GLY . . . . . . . . . . . . . . . -53.91 -45.09 71.57 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 121.273 -0.489 . . . . 0.0 112.806 179.706 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1925 ' ' HIS . . . . . . . . . . . . . 27.7 m80 -78.4 -31.87 48.48 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.917 0.389 . . . . 0.0 110.458 -178.8 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1926 ' ' GLY . . . . . . . . . . . . . . . -69.92 -40.43 74.15 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.207 179.668 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1927 ' ' CYS . . . . . . . . . . . . . 66.7 m -66.19 -43.13 87.72 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.463 0.173 . . . . 0.0 110.784 179.358 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1928 ' ' SER . . . . . . . . . . . . . 21.9 p -65.64 -33.56 76.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.953 0.406 . . . . 0.0 110.665 -178.571 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1929 ' ' ALA . . . . . . . . . . . . . . . -69.38 -45.51 69.14 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.332 176.499 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1930 ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -62.18 -50.23 72.63 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.636 -178.147 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1931 ' ' VAL . . . . . . . . . . . . . 27.6 m -63.08 -28.37 44.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-O 120.7 0.286 . . . . 0.0 111.324 -177.027 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1932 ' ' THR . . . . . . . . . . . . . 86.0 m -72.06 -41.53 67.29 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-O 120.819 0.342 . . . . 0.0 110.23 176.462 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1933 ' ' LYS . . . . . . . . . . . . . 73.6 mmtt -65.53 -40.66 93.18 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.444 176.535 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1934 ' ' ALA . . . . . . . . . . . . . . . -60.5 -48.59 81.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.577 177.174 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1935 ' ' GLY . . . . . . . . . . . . . . . -63.8 -30.27 77.2 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.926 -0.654 . . . . 0.0 112.389 178.71 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1936 ' ' ALA . . . . . . . . . . . . . . . -74.46 -46.54 39.09 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.42 0.152 . . . . 0.0 111.018 179.764 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1937 ' ' LEU . . . . . 0.499 ' CD1' ' HA ' ' A' 1941 ' ' PRO . 30.6 tp -68.17 -28.92 67.7 Favored 'General case' 0 CA--C 1.518 -0.278 0 CA-C-O 121.369 0.604 . . . . 0.0 110.189 179.82 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1938 ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -64.8 -27.85 69.16 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.325 -0.852 . . . . 0.0 109.618 178.138 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1939 ' ' CYS . . . . . . . . . . . . . 58.7 m -86.22 -44.41 12.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.466 176.256 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1940 ' ' SER . . . . . . . . . . . . . 74.5 m -129.09 93.13 37.39 Favored Pre-proline 0 C--N 1.327 -0.41 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.275 -179.882 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1941 ' ' PRO . . . . . 0.499 ' HA ' ' CD1' ' A' 1937 ' ' LEU . 83.2 Cg_endo -84.68 -8.69 9.28 Favored 'Trans proline' 0 CA--C 1.53 0.32 0 C-N-CA 122.896 2.397 . . . . 0.0 113.641 -177.282 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1942 ' ' SER . . . . . . . . . . . . . 38.6 m -86.83 -13.88 43.74 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.914 0.387 . . . . 0.0 111.196 -176.687 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1943 ' ' ASP . . . . . . . . . . . . . 14.8 t70 -86.27 114.63 23.24 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.942 -0.572 . . . . 0.0 109.615 177.484 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1944 ' ' VAL . . . . . . . . . . . . . 3.7 p -72.59 -29.2 29.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.875 -174.166 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1945 ' ' TYR . . . . . . . . . . . . . 92.9 m-85 -66.03 -37.28 85.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.13 0.491 . . . . 0.0 110.411 -178.85 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1946 ' ' THR . . . . . . . . . . . . . 31.6 m -64.64 -41.53 96.07 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.095 175.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1947 ' ' LYS . . . . . 0.401 ' HB3' ' HE2' ' A' 1947 ' ' LYS . 34.2 ttpt -70.92 -44.89 65.22 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.868 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1948 ' ' LYS . . . . . 0.497 ' HE2' ' HA ' ' A' 1948 ' ' LYS . 6.2 mmpt? -53.14 -53.7 46.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.149 -177.493 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1949 ' ' GLU . . . . . . . . . . . . . 62.7 mm-40 -59.94 -29.57 68.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.89 -178.264 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1950 ' ' LEU . . . . . 0.431 HD11 HD22 ' A' 1882 ' ' LEU . 6.3 tt -64.69 -55.27 21.1 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.426 -0.583 . . . . 0.0 109.426 178.329 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1951 ' ' ILE . . . . . 0.55 HG13 ' HB ' ' A' 1872 ' ' VAL . 2.2 mp -63.23 -46.46 95.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.588 179.816 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1952 ' ' GLU . . . . . 0.461 ' O ' ' HG3' ' A' 1956 ' ' ARG . 52.4 mt-10 -64.04 -25.79 68.27 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.593 -177.599 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1953 ' ' CYS . . . . . . . . . . . . . 20.2 t -80.75 -40.4 25.25 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.834 0.349 . . . . 0.0 110.367 178.157 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1954 ' ' ALA . . . . . . . . . . . . . . . -63.71 -39.26 93.86 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.682 -178.087 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1955 ' ' ARG . . . . . 0.412 ' HA ' ' OG ' ' A' 1958 ' ' SER . 0.0 OUTLIER -70.79 -22.91 62.31 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.694 0.283 . . . . 0.0 110.964 179.073 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A 1956 ' ' ARG . . . . . 0.565 ' O ' ' HG2' ' A' 1960 ' ' LYS . 81.7 mtp180 -75.74 -41.23 53.9 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.58 -0.282 . . . . 0.0 110.572 176.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1957 ' ' VAL . . . . . 0.505 ' O ' HG13 ' A' 1961 ' ' VAL . 12.3 m -78.02 -22.97 13.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 C-N-CA 120.96 -0.296 . . . . 0.0 111.474 -177.341 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1958 ' ' SER . . . . . 0.531 ' O ' HG22 ' A' 1961 ' ' VAL . 1.3 p -69.61 -26.94 64.68 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 111.61 0.226 . . . . 0.0 111.61 -177.831 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1959 ' ' GLU . . . . . 0.431 ' HG2' ' O ' ' A' 1956 ' ' ARG . 12.6 pt-20 -80.94 -26.62 36.54 Favored 'General case' 0 C--N 1.331 -0.218 0 C-N-CA 120.195 -0.602 . . . . 0.0 109.801 172.823 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1960 ' ' LYS . . . . . 0.565 ' HG2' ' O ' ' A' 1956 ' ' ARG . 12.5 mmmm -71.04 -35.98 72.19 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.478 -179.701 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1961 ' ' VAL . . . . . 0.779 HG21 ' HB2' ' A' 1865 ' ' ALA . 5.9 m -66.01 -33.49 63.92 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.168 0 CA-C-O 120.952 0.406 . . . . 0.0 109.943 176.054 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1962 ' ' SER . . . . . 0.691 ' HA ' HD12 ' A' 1965 ' ' LEU . 42.2 t -65.92 -27.1 67.93 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 121.354 0.597 . . . . 0.0 109.962 176.794 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1963 ' ' HIS . . . . . . . . . . . . . 62.6 m170 -79.76 -23.96 41.87 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.872 -0.603 . . . . 0.0 110.284 -179.038 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1964 ' ' VAL . . . . . 0.653 HG11 HD11 ' A' 1896 ' ' LEU . 97.8 t -66.5 -46.84 85.46 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.2 0 N-CA-C 108.368 -0.975 . . . . 0.0 108.368 168.171 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1965 ' ' LEU . . . . . 0.691 HD12 ' HA ' ' A' 1962 ' ' SER . 51.1 mt -52.87 -47.57 67.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.135 -0.939 . . . . 0.0 110.391 177.656 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1966 ' ' ALA . . . . . . . . . . . . . . . -68.86 -43.67 74.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.887 -179.243 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1967 ' ' ALA . . . . . . . . . . . . . . . -57.46 -42.49 82.65 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-O 121.006 0.431 . . . . 0.0 111.071 -179.07 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1968 ' ' LEU . . . . . 0.981 ' HB3' ' HG3' ' A' 1854 ' ' GLN . 4.3 mm? -73.42 -41.15 63.63 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.882 179.015 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1969 ' ' GLN . . . . . . . . . . . . . 46.5 mt-30 -72.92 -3.58 26.7 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 111.704 0.261 . . . . 0.0 111.704 -178.645 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1970 ' ' ALA . . . . . . . . . . . . . . . -66.76 -19.34 65.73 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.107 0.48 . . . . 0.0 110.408 175.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1971 ' ' GLY . . . . . . . . . . . . . . . -82.89 -4.76 89.88 Favored Glycine 0 N--CA 1.449 -0.437 0 CA-C-N 115.737 -0.665 . . . . 0.0 112.328 177.433 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1972 ' ' ASN . . . . . . . . . . . . . 18.5 m120 -89.19 150.24 22.76 Favored 'General case' 0 CA--C 1.517 -0.315 0 CA-C-O 120.842 0.353 . . . . 0.0 110.799 179.314 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1973 ' ' ARG . . . . . . . . . . . . . 55.8 ttt180 . . . . . 0 C--O 1.246 0.903 0 CA-C-N 115.451 -0.795 . . . . 0.0 109.232 178.286 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A 1837 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.734 0 N-CA-C 112.446 -0.262 . . . . 0.0 112.446 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A 1838 ' ' ILE . . . . . 0.706 HD13 ' H ' ' A' 1839 ' ' ASP . 0.4 OUTLIER -108.03 148.51 12.07 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 N-CA-C 109.215 -0.661 . . . . 0.0 109.215 177.195 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A 1839 ' ' ASP . . . . . 0.706 ' H ' HD13 ' A' 1838 ' ' ILE . 0.6 OUTLIER -86.79 144.22 36.73 Favored Pre-proline 0 C--N 1.322 -0.614 0 N-CA-C 109.911 -0.403 . . . . 0.0 109.911 -178.007 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A 1840 ' ' PRO . . . . . 0.43 ' HD2' ' CG ' ' A' 1839 ' ' ASP . 18.8 Cg_endo -62.81 -15.83 49.61 Favored 'Trans proline' 0 C--O 1.234 0.305 0 C-N-CA 123.157 2.571 . . . . 0.0 112.844 -178.16 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1841 ' ' PHE . . . . . . . . . . . . . 45.6 p90 -146.28 -177.21 5.5 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.203 -0.453 . . . . 0.0 109.872 175.362 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1842 ' ' THR . . . . . 0.606 ' OG1' ' HA ' ' A' 1846 ' ' PRO . 34.1 p -126.9 154.8 43.97 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.381 -174.653 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1843 ' ' MET . . . . . . . . . . . . . 1.2 pmm? -86.86 159.54 19.03 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.427 -179.028 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1844 ' ' GLY . . . . . . . . . . . . . . . 82.14 -82.66 1.59 Allowed Glycine 0 N--CA 1.449 -0.484 0 N-CA-C 110.644 -0.982 . . . . 0.0 110.644 -175.663 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1845 ' ' ASP . . . . . 0.418 ' HA ' ' HD3' ' A' 1846 ' ' PRO . 3.3 t70 -133.04 129.03 20.86 Favored Pre-proline 0 C--N 1.323 -0.578 0 N-CA-C 108.702 -0.851 . . . . 0.0 108.702 172.758 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1846 ' ' PRO . . . . . 0.606 ' HA ' ' OG1' ' A' 1842 ' ' THR . 95.7 Cg_endo -92.6 89.74 0.19 Allowed 'Trans proline' 0 N--CA 1.45 -1.069 0 C-N-CA 123.549 2.833 . . . . 0.0 113.384 -174.447 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1847 ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -88.95 -18.24 27.86 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.364 0.602 . . . . 0.0 109.394 172.735 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1848 ' ' GLY . . . . . . . . . . . . . . . 71.93 -142.04 32.65 Favored Glycine 0 N--CA 1.449 -0.47 0 CA-C-N 115.211 -0.904 . . . . 0.0 113.443 172.567 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1849 ' ' SER . . . . . . . . . . . . . 12.5 p -78.88 8.85 4.87 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 112.093 0.405 . . . . 0.0 112.093 -175.518 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1850 ' ' PHE . . . . . 0.404 ' CZ ' HG21 ' A' 1912 ' ' ILE . 87.2 t80 -59.53 -23.94 63.26 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.196 0.522 . . . . 0.0 110.157 175.919 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1851 ' ' VAL . . . . . . . . . . . . . 23.6 m -60.09 -31.24 47.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.183 178.701 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1852 ' ' ASP . . . . . . . . . . . . . 20.4 t70 -74.08 -45.82 46.87 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.187 0.518 . . . . 0.0 110.008 -179.733 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1853 ' ' TYR . . . . . 0.565 ' CE1' ' HB2' ' A' 1902 ' ' PRO . 59.7 m-85 -69.56 -24.1 63.66 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.452 -0.794 . . . . 0.0 110.58 -179.765 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1854 ' ' GLN . . . . . 0.949 ' HG3' ' HB3' ' A' 1968 ' ' LEU . 6.2 tt0 -73.4 -55.45 6.36 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.289 174.13 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1855 ' ' THR . . . . . 0.405 ' HA ' HG22 ' A' 1858 ' ' VAL . 39.4 m -59.01 -38.71 79.86 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.03 -0.532 . . . . 0.0 112.046 -175.878 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1856 ' ' THR . . . . . 0.454 HG23 ' N ' ' A' 1857 ' ' MET . 9.7 t -58.62 -50.45 73.77 Favored 'General case' 0 CA--C 1.537 0.449 0 N-CA-C 111.872 0.323 . . . . 0.0 111.872 -176.342 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1857 ' ' MET . . . . . 0.626 ' SD ' HD21 ' A' 1968 ' ' LEU . 6.4 ptp -81.8 -31.11 31.95 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 112.156 0.428 . . . . 0.0 112.156 -174.833 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1858 ' ' VAL . . . . . 0.464 HG13 ' O ' ' A' 1854 ' ' GLN . 23.4 m -66.78 -36.34 76.96 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.178 0 C-N-CA 119.938 -0.705 . . . . 0.0 110.181 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1859 ' ' ARG . . . . . 0.548 ' HA ' ' HD2' ' A' 1862 ' ' LYS . 6.3 mpt_? -62.22 -42.38 99.25 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-O 121.254 0.55 . . . . 0.0 110.169 172.572 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1860 ' ' THR . . . . . . . . . . . . . 31.6 m -66.93 -40.6 87.66 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.365 -0.834 . . . . 0.0 111.138 -179.042 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1861 ' ' ALA . . . . . . . . . . . . . . . -60.59 -38.61 85.2 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.839 0.352 . . . . 0.0 110.777 178.68 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1862 ' ' LYS . . . . . 0.548 ' HD2' ' HA ' ' A' 1859 ' ' ARG . 40.8 mttm -62.91 -42.65 99.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.28 176.747 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1863 ' ' ALA . . . . . . . . . . . . . . . -66.98 -37.29 83.97 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.774 -179.79 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1864 ' ' ILE . . . . . . . . . . . . . 80.1 mt -64.21 -45.44 96.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.141 175.117 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1865 ' ' ALA . . . . . 0.82 ' HB2' HG21 ' A' 1961 ' ' VAL . . . -59.64 -44.47 93.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.059 -0.519 . . . . 0.0 112.074 -178.768 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1866 ' ' VAL . . . . . 0.611 ' HA ' ' HG2' ' A' 1869 ' ' GLN . 12.5 p -71.59 -33.64 49.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 C-N-CA 120.354 -0.539 . . . . 0.0 110.421 179.3 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1867 ' ' THR . . . . . 0.672 ' O ' ' HG3' ' A' 1871 ' ' MET . 90.0 m -62.68 -51.48 67.07 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.553 0.216 . . . . 0.0 110.472 177.07 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1868 ' ' VAL . . . . . 0.53 ' HA ' ' SD ' ' A' 1871 ' ' MET . 30.6 m -64.17 -31.64 54.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.077 -177.344 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1869 ' ' GLN . . . . . 0.611 ' HG2' ' HA ' ' A' 1866 ' ' VAL . 2.6 pt20 -76.95 -30.22 55.95 Favored 'General case' 0 N--CA 1.453 -0.286 0 C-N-CA 120.485 -0.486 . . . . 0.0 110.174 179.043 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1870 ' ' GLU . . . . . 0.471 ' HG3' ' O ' ' A' 1866 ' ' VAL . 47.6 mt-10 -63.27 -39.0 93.35 Favored 'General case' 0 C--O 1.223 -0.296 0 N-CA-C 109.556 -0.535 . . . . 0.0 109.556 172.404 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1871 ' ' MET . . . . . 0.672 ' HG3' ' O ' ' A' 1867 ' ' THR . 39.2 mtp -59.46 -41.16 89.07 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.813 -179.779 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1872 ' ' VAL . . . . . 1.1 ' HB ' HG13 ' A' 1951 ' ' ILE . 1.5 m -73.99 -28.27 23.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 121.361 0.6 . . . . 0.0 110.596 179.589 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1873 ' ' THR . . . . . . . . . . . . . 38.7 m -77.25 -46.11 24.19 Favored 'General case' 0 N--CA 1.443 -0.818 0 CA-C-N 115.467 -0.788 . . . . 0.0 110.702 -179.352 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1874 ' ' LYS . . . . . 0.489 ' HG3' HD11 ' A' 1885 ' ' LEU . 70.4 mmtt -65.15 -46.26 81.61 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.791 -0.64 . . . . 0.0 111.159 -178.425 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1875 ' ' SER . . . . . 0.553 ' HB3' HD11 ' A' 1882 ' ' LEU . 7.9 p -55.13 -20.03 9.11 Favored 'General case' 0 N--CA 1.467 0.417 0 N-CA-C 113.28 0.844 . . . . 0.0 113.28 -171.705 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1876 ' ' ASN . . . . . . . . . . . . . 93.1 m-20 -66.36 -36.79 83.78 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.746 0.308 . . . . 0.0 111.296 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1877 ' ' THR . . . . . . . . . . . . . 81.2 p -121.24 -31.14 4.17 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.412 0.625 . . . . 0.0 111.322 -179.499 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1878 ' ' SER . . . . . . . . . . . . . 22.7 m -126.01 101.43 29.09 Favored Pre-proline 0 C--N 1.319 -0.734 0 CA-C-N 115.479 -0.782 . . . . 0.0 111.044 -170.801 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1879 ' ' PRO . . . . . 0.778 ' HA ' HD12 ' A' 1882 ' ' LEU . 64.3 Cg_endo -84.05 -28.03 1.36 Allowed 'Trans proline' 0 N--CA 1.446 -1.28 0 C-N-CA 121.316 1.344 . . . . 0.0 111.738 175.657 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1880 ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -68.43 -29.83 68.57 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.763 178.501 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1881 ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -61.79 -13.91 28.01 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.435 178.308 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1882 ' ' LEU . . . . . 0.778 HD12 ' HA ' ' A' 1879 ' ' PRO . 0.8 OUTLIER -86.26 -7.13 58.75 Favored 'General case' 0 N--CA 1.438 -1.048 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.492 -175.458 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A 1883 ' ' GLY . . . . . 0.408 ' N ' ' HD2' ' A' 1884 ' ' PRO . . . -66.15 -60.35 6.48 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.677 -0.773 . . . . 0.0 111.844 175.44 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1884 ' ' PRO . . . . . 0.408 ' HD2' ' N ' ' A' 1883 ' ' GLY . 18.5 Cg_endo -60.09 -32.98 95.47 Favored 'Trans proline' 0 C--N 1.348 0.501 0 C-N-CA 122.644 2.23 . . . . 0.0 112.206 176.563 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1885 ' ' LEU . . . . . 0.489 HD11 ' HG3' ' A' 1874 ' ' LYS . 73.1 mt -69.77 -40.06 76.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.654 -179.094 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1886 ' ' ALA . . . . . . . . . . . . . . . -63.43 -44.93 93.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.104 0.478 . . . . 0.0 110.26 177.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1887 ' ' ASN . . . . . . . . . . . . . 58.9 t30 -63.16 -38.33 90.75 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.694 -0.685 . . . . 0.0 110.098 176.504 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1888 ' ' GLN . . . . . 0.427 ' HG3' HG21 ' A' 1867 ' ' THR . 30.9 tp60 -63.19 -48.22 79.26 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.895 179.275 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1889 ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -57.2 -44.53 83.75 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.397 0.618 . . . . 0.0 109.407 177.151 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1890 ' ' THR . . . . . . . . . . . . . 57.2 m -60.52 -47.68 85.09 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.24 -0.891 . . . . 0.0 111.462 -179.264 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1891 ' ' SER . . . . . . . . . . . . . 33.1 m -66.79 -43.78 83.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.694 0.283 . . . . 0.0 111.462 -177.726 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1892 ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -69.05 -40.48 78.51 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.643 -0.253 . . . . 0.0 111.474 -177.168 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1893 ' ' TYR . . . . . . . . . . . . . 51.8 t80 -58.5 -33.27 69.62 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-O 120.908 0.385 . . . . 0.0 110.558 176.351 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1894 ' ' GLY . . . . . . . . . . . . . . . -59.6 -30.26 68.41 Favored Glycine 0 N--CA 1.45 -0.43 0 C-N-CA 121.097 -0.573 . . . . 0.0 112.171 178.639 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1895 ' ' ARG . . . . . . . . . . . . . 35.7 ttt180 -78.43 -39.67 38.1 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.042 0.449 . . . . 0.0 110.31 178.282 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1896 ' ' LEU . . . . . 0.452 HD12 ' HB2' ' A' 1857 ' ' MET . 59.5 tp -61.42 -49.15 78.02 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.891 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1897 ' ' ALA . . . . . . . . . . . . . . . -69.95 -25.05 63.46 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.782 -176.099 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1898 ' ' SER . . . . . . . . . . . . . 11.3 p -82.1 -46.44 13.85 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.918 0.39 . . . . 0.0 110.162 -176.827 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1899 ' ' GLN . . . . . . . . . . . . . 15.2 mm100 -70.56 -11.6 61.03 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.897 179.671 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1900 ' ' ALA . . . . . 0.537 ' HA ' ' HE3' ' A' 1857 ' ' MET . . . -67.74 -28.56 67.74 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.864 176.68 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1901 ' ' LYS . . . . . 0.418 ' HB3' ' CD ' ' A' 1902 ' ' PRO . 22.3 tptm -71.92 -57.69 3.84 Favored Pre-proline 0 CA--C 1.537 0.466 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.362 -177.69 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1902 ' ' PRO . . . . . 0.596 ' HA ' HG22 ' A' 1905 ' ' VAL . 29.9 Cg_endo -64.08 -24.38 66.53 Favored 'Trans proline' 0 C--N 1.356 0.932 0 C-N-CA 121.774 1.649 . . . . 0.0 112.164 178.097 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1903 ' ' ALA . . . . . . . . . . . . . . . -71.18 -38.2 72.14 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.884 0.373 . . . . 0.0 110.77 177.117 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1904 ' ' ALA . . . . . . . . . . . . . . . -75.21 -31.35 60.86 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.839 -176.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1905 ' ' VAL . . . . . 0.596 HG22 ' HA ' ' A' 1902 ' ' PRO . 22.7 m -84.71 -17.99 9.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.506 -178.225 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1906 ' ' ALA . . . . . . . . . . . . . . . -102.62 0.35 33.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.614 0.245 . . . . 0.0 110.687 177.424 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1907 ' ' ALA . . . . . . . . . . . . . . . -64.78 135.93 56.34 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.571 179.516 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1908 ' ' GLU . . . . . 0.537 ' OE1' HD12 ' A' 1912 ' ' ILE . 0.0 OUTLIER -89.35 -29.14 19.34 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 121.081 0.467 . . . . 0.0 110.889 -177.252 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A 1909 ' ' ASN . . . . . 0.554 ' ND2' ' HA2' ' A' 1971 ' ' GLY . 32.2 m-80 -97.63 166.36 11.54 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.201 0.524 . . . . 0.0 111.524 179.047 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1910 ' ' GLU . . . . . . . . . . . . . 12.1 tp10 -72.42 -53.88 10.94 Favored 'General case' 0 CA--C 1.513 -0.472 0 CA-C-N 115.423 -0.808 . . . . 0.0 110.551 -179.704 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1911 ' ' GLU . . . . . 0.488 ' HB3' ' CD2' ' A' 1915 ' ' HIS . 1.8 mt-10 -72.69 -33.91 66.81 Favored 'General case' 0 N--CA 1.442 -0.827 0 CA-C-N 114.782 -1.099 . . . . 0.0 112.174 -169.414 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1912 ' ' ILE . . . . . 0.576 ' O ' HG13 ' A' 1916 ' ' ILE . 48.7 mt -57.1 -53.71 39.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 C-N-CA 120.702 -0.399 . . . . 0.0 110.66 -178.148 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1913 ' ' GLY . . . . . . . . . . . . . . . -62.08 -32.33 81.93 Favored Glycine 0 N--CA 1.453 -0.227 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.241 179.596 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1914 ' ' ALA . . . . . . . . . . . . . . . -73.55 -44.23 57.97 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.931 0.395 . . . . 0.0 110.757 179.451 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1915 ' ' HIS . . . . . 0.494 ' O ' ' HG2' ' A' 1919 ' ' ARG . 78.3 m-70 -68.02 -37.86 81.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.355 -177.256 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1916 ' ' ILE . . . . . 0.576 HG13 ' O ' ' A' 1912 ' ' ILE . 89.2 mt -51.41 -58.06 2.51 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.161 0 O-C-N 123.363 0.414 . . . . 0.0 111.272 179.823 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1917 ' ' LYS . . . . . . . . . . . . . 52.7 mtmt -69.37 -24.22 63.85 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.505 -176.255 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1918 ' ' HIS . . . . . 0.412 ' O ' ' HG3' ' A' 1922 ' ' GLU . 13.0 m-70 -69.35 -52.76 24.04 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.744 0.307 . . . . 0.0 110.83 175.04 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1919 ' ' ARG . . . . . 0.494 ' HG2' ' O ' ' A' 1915 ' ' HIS . 26.3 mmt180 -68.76 -39.06 80.44 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.099 -0.501 . . . . 0.0 112.033 -171.872 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1920 ' ' VAL . . . . . . . . . . . . . 30.6 m -64.75 -29.2 46.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.924 0.392 . . . . 0.0 110.494 179.078 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1921 ' ' GLN . . . . . . . . . . . . . 5.7 tt0 -71.28 -42.77 68.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.309 0.576 . . . . 0.0 110.488 178.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1922 ' ' GLU . . . . . 0.412 ' HG3' ' O ' ' A' 1918 ' ' HIS . 37.7 mt-10 -72.34 -31.33 65.54 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.708 0.766 . . . . 0.0 108.996 -176.551 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1923 ' ' LEU . . . . . 0.639 ' HG ' ' HB3' ' A' 1960 ' ' LYS . 0.7 OUTLIER -69.61 -47.66 62.7 Favored 'General case' 0 N--CA 1.446 -0.635 0 CA-C-N 114.667 -1.151 . . . . 0.0 109.781 176.679 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A 1924 ' ' GLY . . . . . . . . . . . . . . . -61.01 -39.93 97.77 Favored Glycine 0 N--CA 1.451 -0.336 0 CA-C-N 115.785 -0.643 . . . . 0.0 113.326 -177.714 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1925 ' ' HIS . . . . . . . . . . . . . 29.6 m170 -62.43 -31.35 72.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.862 0.363 . . . . 0.0 110.816 178.555 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1926 ' ' GLY . . . . . 0.523 ' HA3' HG12 ' A' 1957 ' ' VAL . . . -77.01 -34.68 41.29 Favored Glycine 0 N--CA 1.448 -0.504 0 C-N-CA 120.543 -0.837 . . . . 0.0 111.633 175.187 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1927 ' ' CYS . . . . . . . . . . . . . 64.0 m -63.81 -47.37 81.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.729 0.3 . . . . 0.0 110.683 178.534 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1928 ' ' SER . . . . . . . . . . . . . 5.5 p -60.96 -37.32 81.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.063 -178.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1929 ' ' ALA . . . . . . . . . . . . . . . -69.13 -42.89 75.42 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.046 0.451 . . . . 0.0 110.54 176.47 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1930 ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -63.45 -49.63 72.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.276 -177.593 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1931 ' ' VAL . . . . . . . . . . . . . 27.8 m -61.95 -27.13 41.75 Favored 'Isoleucine or valine' 0 C--O 1.234 0.282 0 CA-C-O 120.822 0.344 . . . . 0.0 111.22 -178.096 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1932 ' ' THR . . . . . . . . . . . . . 55.7 m -70.96 -46.31 62.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.456 176.362 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1933 ' ' LYS . . . . . . . . . . . . . 33.7 mmtp -71.64 -30.72 66.07 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.363 -0.381 . . . . 0.0 111.224 -178.391 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1934 ' ' ALA . . . . . 0.42 ' HB1' ' HB3' ' A' 1882 ' ' LEU . . . -59.46 -53.61 56.11 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.99 0.424 . . . . 0.0 111.372 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1935 ' ' GLY . . . . . . . . . . . . . . . -70.74 -25.17 76.19 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 121.149 -0.548 . . . . 0.0 112.039 178.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1936 ' ' ALA . . . . . . . . . . . . . . . -75.0 -39.02 61.44 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.668 0.27 . . . . 0.0 110.747 179.393 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1937 ' ' LEU . . . . . 0.417 ' HB2' HG22 ' A' 1946 ' ' THR . 61.2 tp -66.01 -37.82 86.89 Favored 'General case' 0 CA--C 1.517 -0.317 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.066 -179.748 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1938 ' ' GLN . . . . . 0.699 ' HA ' ' HB2' ' A' 1879 ' ' PRO . 3.1 pt20 -73.66 -25.08 60.09 Favored 'General case' 0 C--N 1.322 -0.589 0 C-N-CA 119.782 -0.767 . . . . 0.0 110.526 178.021 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1939 ' ' CYS . . . . . . . . . . . . . 16.6 t -82.39 -11.43 58.56 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.152 0.501 . . . . 0.0 110.228 176.046 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1940 ' ' SER . . . . . . . . . . . . . 48.2 m -146.73 71.83 12.59 Favored Pre-proline 0 C--N 1.326 -0.436 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.675 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1941 ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -77.26 -6.41 16.45 Favored 'Trans proline' 0 C--N 1.344 0.328 0 C-N-CA 122.508 2.138 . . . . 0.0 112.842 -174.597 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1942 ' ' SER . . . . . . . . . . . . . 33.3 t -91.99 2.18 56.71 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.939 0.399 . . . . 0.0 110.447 -179.35 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1943 ' ' ASP . . . . . . . . . . . . . 17.3 t70 -109.14 106.36 16.21 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.307 179.63 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1944 ' ' VAL . . . . . 0.482 ' O ' ' HG2' ' A' 1948 ' ' LYS . 10.8 p -71.93 -25.9 24.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.895 -176.752 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1945 ' ' TYR . . . . . . . . . . . . . 89.7 m-85 -68.58 -38.05 80.38 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.733 -176.568 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1946 ' ' THR . . . . . 0.417 HG22 ' HB2' ' A' 1937 ' ' LEU . 92.1 m -59.28 -38.22 79.62 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.352 174.589 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1947 ' ' LYS . . . . . 0.494 ' HG3' ' HB2' ' A' 1875 ' ' SER . 15.1 ttpp -68.65 -43.55 76.03 Favored 'General case' 0 N--CA 1.453 -0.283 0 CA-C-N 116.079 -0.509 . . . . 0.0 109.829 176.863 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1948 ' ' LYS . . . . . 0.59 ' O ' ' HG2' ' A' 1952 ' ' GLU . 7.7 mmpt? -53.9 -53.05 58.07 Favored 'General case' 0 C--N 1.332 -0.152 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.535 -179.79 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1949 ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -57.86 -37.67 74.32 Favored 'General case' 0 N--CA 1.464 0.26 0 O-C-N 123.47 0.481 . . . . 0.0 111.179 -179.018 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1950 ' ' LEU . . . . . 0.741 HD11 HD22 ' A' 1882 ' ' LEU . 7.7 tt -60.53 -49.69 76.52 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.529 -178.025 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1951 ' ' ILE . . . . . 1.1 HG13 ' HB ' ' A' 1872 ' ' VAL . 2.0 mp -64.31 -41.43 92.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.301 177.512 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1952 ' ' GLU . . . . . 0.59 ' HG2' ' O ' ' A' 1948 ' ' LYS . 32.1 mm-40 -62.38 -36.59 82.76 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.057 -179.027 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1953 ' ' CYS . . . . . . . . . . . . . 36.3 t -75.43 -42.9 52.31 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.524 -0.307 . . . . 0.0 111.005 -178.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1954 ' ' ALA . . . . . . . . . . . . . . . -61.04 -39.72 90.9 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.71 -176.552 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1955 ' ' ARG . . . . . 0.565 ' HE ' ' HA ' ' A' 1952 ' ' GLU . 8.9 ptp180 -63.06 -30.91 71.97 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.842 0.353 . . . . 0.0 110.497 -179.896 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1956 ' ' ARG . . . . . 0.485 ' HG3' ' O ' ' A' 1952 ' ' GLU . 81.2 mtp180 -80.0 -37.08 34.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.368 -175.69 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1957 ' ' VAL . . . . . 0.523 HG12 ' HA3' ' A' 1926 ' ' GLY . 10.5 m -71.8 -29.69 34.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 C-N-CA 120.586 -0.446 . . . . 0.0 110.138 179.394 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1958 ' ' SER . . . . . 0.719 ' O ' HG22 ' A' 1961 ' ' VAL . 39.4 t -66.81 -24.08 66.13 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.318 177.689 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1959 ' ' GLU . . . . . 0.449 ' OE1' ' HA ' ' A' 1956 ' ' ARG . 42.4 mt-10 -68.0 -41.14 82.7 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.427 -0.583 . . . . 0.0 109.427 173.632 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1960 ' ' LYS . . . . . 0.639 ' HB3' ' HG ' ' A' 1923 ' ' LEU . 1.5 mppt? -66.48 -32.31 73.59 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.512 -0.767 . . . . 0.0 111.288 -179.502 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1961 ' ' VAL . . . . . 0.82 HG21 ' HB2' ' A' 1865 ' ' ALA . 2.3 m -63.38 -35.01 70.62 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.142 0 CA-C-O 120.992 0.425 . . . . 0.0 109.882 178.596 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1962 ' ' SER . . . . . 0.515 ' HA ' HD12 ' A' 1965 ' ' LEU . 10.4 t -76.85 -26.87 54.78 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-N 116.018 -0.537 . . . . 0.0 109.709 179.123 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1963 ' ' HIS . . . . . . . . . . . . . 66.6 m170 -72.94 -30.0 63.53 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.042 178.881 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1964 ' ' VAL . . . . . 0.632 ' O ' HD23 ' A' 1968 ' ' LEU . 64.3 t -67.53 -47.59 79.92 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.201 0 N-CA-C 109.119 -0.697 . . . . 0.0 109.119 171.169 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1965 ' ' LEU . . . . . 0.569 ' HG ' ' O ' ' A' 1961 ' ' VAL . 84.5 mt -53.29 -54.76 31.69 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.949 179.436 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1966 ' ' ALA . . . . . . . . . . . . . . . -62.48 -33.63 75.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.91 -177.516 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1967 ' ' ALA . . . . . . . . . . . . . . . -66.53 -45.49 79.29 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.198 -178.855 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1968 ' ' LEU . . . . . 0.949 ' HB3' ' HG3' ' A' 1854 ' ' GLN . 3.8 mm? -73.1 -30.77 63.89 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.896 -178.426 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1969 ' ' GLN . . . . . . . . . . . . . 73.8 mt-30 -79.92 13.75 2.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.969 -175.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1970 ' ' ALA . . . . . . . . . . . . . . . -90.36 -169.98 2.59 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.527 -0.306 . . . . 0.0 110.383 177.437 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1971 ' ' GLY . . . . . 0.554 ' HA2' ' ND2' ' A' 1909 ' ' ASN . . . 112.12 -128.08 8.38 Favored Glycine 0 N--CA 1.447 -0.572 0 C-N-CA 120.764 -0.732 . . . . 0.0 111.945 179.46 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1972 ' ' ASN . . . . . . . . . . . . . 10.8 p30 -87.45 -3.03 59.01 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.15 0.5 . . . . 0.0 110.114 178.795 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1973 ' ' ARG . . . . . . . . . . . . . 41.5 ttt180 . . . . . 0 C--O 1.246 0.894 0 CA-C-O 118.284 -0.865 . . . . 0.0 109.57 175.607 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A 1837 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.579 0 N-CA-C 111.801 -0.519 . . . . 0.0 111.801 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A 1838 ' ' ILE . . . . . 0.672 HG23 ' H ' ' A' 1839 ' ' ASP . 10.0 tt 46.39 -81.53 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.475 0.816 0 C-N-CA 124.861 1.264 . . . . 0.0 113.656 -179.033 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1839 ' ' ASP . . . . . 0.672 ' H ' HG23 ' A' 1838 ' ' ILE . 16.1 t70 -171.58 132.79 0.82 Allowed Pre-proline 0 C--N 1.319 -0.727 0 N-CA-C 109.147 -0.686 . . . . 0.0 109.147 -175.262 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1840 ' ' PRO . . . . . . . . . . . . . 83.8 Cg_endo -79.83 38.69 0.76 Allowed 'Trans proline' 0 C--O 1.234 0.28 0 C-N-CA 122.928 2.418 . . . . 0.0 113.546 -177.028 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1841 ' ' PHE . . . . . 0.486 ' HD1' ' HB3' ' A' 1839 ' ' ASP . 47.9 p90 -81.54 173.62 12.21 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.084 0.469 . . . . 0.0 110.802 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1842 ' ' THR . . . . . . . . . . . . . 5.7 t -118.65 144.49 46.14 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.838 175.81 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1843 ' ' MET . . . . . . . . . . . . . 22.8 ptp -65.9 -31.74 72.85 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.236 -179.445 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1844 ' ' GLY . . . . . . . . . . . . . . . 55.92 -113.6 4.13 Favored Glycine 0 C--N 1.332 0.308 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.026 -178.033 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1845 ' ' ASP . . . . . . . . . . . . . 15.0 m-20 -113.47 115.34 47.09 Favored Pre-proline 0 C--N 1.325 -0.497 0 N-CA-C 109.989 -0.374 . . . . 0.0 109.989 175.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1846 ' ' PRO . . . . . 0.536 ' O ' ' HA ' ' A' 1906 ' ' ALA . 7.9 Cg_exo -72.14 -69.46 0.02 OUTLIER 'Trans proline' 0 N--CA 1.461 -0.387 0 C-N-CA 122.683 2.255 . . . . 0.0 111.888 179.244 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1847 ' ' GLU . . . . . 0.589 ' HB3' ' HA ' ' A' 1908 ' ' GLU . 9.2 pt-20 -78.4 -179.85 6.57 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.186 -177.616 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1848 ' ' GLY . . . . . . . . . . . . . . . 104.44 -66.07 0.31 Allowed Glycine 0 N--CA 1.449 -0.494 0 C-N-CA 120.832 -0.699 . . . . 0.0 111.729 -176.625 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1849 ' ' SER . . . . . . . . . . . . . 17.8 m -75.17 -4.44 38.83 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.899 0.38 . . . . 0.0 110.961 178.423 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1850 ' ' PHE . . . . . 0.538 ' HB2' ' O ' ' A' 1906 ' ' ALA . 76.4 t80 -55.83 -29.79 60.36 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.987 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1851 ' ' VAL . . . . . . . . . . . . . 6.2 m -57.69 -32.8 43.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.302 -178.718 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1852 ' ' ASP . . . . . . . . . . . . . 21.8 t70 -76.33 -48.87 18.51 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.5 -178.314 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1853 ' ' TYR . . . . . 0.465 ' HB3' ' HB2' ' A' 1903 ' ' ALA . 56.4 m-85 -66.81 -33.54 75.83 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.593 -178.816 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1854 ' ' GLN . . . . . 0.554 ' HA ' HD12 ' A' 1968 ' ' LEU . 29.5 tt0 -58.63 -59.86 4.73 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.159 173.499 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1855 ' ' THR . . . . . 0.587 ' O ' ' HG2' ' A' 1859 ' ' ARG . 25.3 m -62.51 -37.88 87.76 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.528 -0.76 . . . . 0.0 112.126 -173.678 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1856 ' ' THR . . . . . 0.452 HG23 ' N ' ' A' 1857 ' ' MET . 14.5 t -66.16 -49.53 67.08 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 111.923 0.342 . . . . 0.0 111.923 -174.358 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1857 ' ' MET . . . . . 0.674 ' HB2' HD12 ' A' 1896 ' ' LEU . 1.1 ptp -82.35 -22.77 35.38 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 120.594 -0.443 . . . . 0.0 111.567 -171.759 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1858 ' ' VAL . . . . . 0.405 HG13 ' O ' ' A' 1854 ' ' GLN . 34.2 m -70.76 -30.41 41.89 Favored 'Isoleucine or valine' 0 CA--C 1.523 -0.062 0 C-N-CA 120.001 -0.679 . . . . 0.0 109.818 175.591 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1859 ' ' ARG . . . . . 0.587 ' HG2' ' O ' ' A' 1855 ' ' THR . 38.7 mmt180 -61.72 -44.12 97.54 Favored 'General case' 0 CA--C 1.516 -0.332 0 N-CA-C 109.122 -0.696 . . . . 0.0 109.122 172.122 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1860 ' ' THR . . . . . 0.425 ' O ' HG13 ' A' 1864 ' ' ILE . 5.7 m -62.52 -41.43 98.85 Favored 'General case' 0 N--CA 1.449 -0.515 0 CA-C-N 115.15 -0.932 . . . . 0.0 110.843 -179.836 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1861 ' ' ALA . . . . . . . . . . . . . . . -62.41 -46.05 90.32 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.895 0.379 . . . . 0.0 110.82 178.621 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1862 ' ' LYS . . . . . 0.405 ' HE2' HD22 ' A' 1965 ' ' LEU . 46.4 mttm -64.53 -36.07 83.02 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.508 177.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1863 ' ' ALA . . . . . . . . . . . . . . . -70.45 -37.1 74.27 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.807 178.616 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1864 ' ' ILE . . . . . 0.634 ' O ' HG13 ' A' 1868 ' ' VAL . 63.7 mt -65.66 -42.18 92.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 N-CA-C 110.134 -0.321 . . . . 0.0 110.134 175.148 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1865 ' ' ALA . . . . . 0.806 ' HB2' HG21 ' A' 1961 ' ' VAL . . . -54.69 -48.94 71.81 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.757 -179.073 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1866 ' ' VAL . . . . . . . . . . . . . 10.3 p -64.85 -34.15 68.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 C-N-CA 120.71 -0.396 . . . . 0.0 110.744 -179.621 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1867 ' ' THR . . . . . 0.479 ' O ' ' HG3' ' A' 1871 ' ' MET . 11.9 m -66.18 -49.49 67.17 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.81 -0.177 . . . . 0.0 110.867 178.602 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1868 ' ' VAL . . . . . 0.634 HG13 ' O ' ' A' 1864 ' ' ILE . 3.1 m -65.2 -32.77 59.73 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.287 0 CA-C-O 121.488 0.661 . . . . 0.0 110.554 -178.616 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1869 ' ' GLN . . . . . . . . . . . . . 5.5 tp-100 -77.63 -34.91 53.14 Favored 'General case' 0 N--CA 1.427 -1.576 0 CA-C-N 115.278 -0.874 . . . . 0.0 110.261 -177.849 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1870 ' ' GLU . . . . . . . . . . . . . 32.5 mm-40 -71.97 -31.09 65.94 Favored 'General case' 0 C--O 1.22 -0.472 0 CA-C-N 116.544 -0.298 . . . . 0.0 110.816 172.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1871 ' ' MET . . . . . 0.479 ' HG3' ' O ' ' A' 1867 ' ' THR . 7.6 mtt -55.23 -48.99 73.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.699 0.285 . . . . 0.0 110.926 177.268 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1872 ' ' VAL . . . . . 0.6 HG12 ' HA ' ' A' 1951 ' ' ILE . 32.9 m -72.88 -28.96 28.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.98 0.419 . . . . 0.0 111.092 179.809 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1873 ' ' THR . . . . . . . . . . . . . 85.6 m -71.17 -43.64 67.08 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.574 177.454 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1874 ' ' LYS . . . . . . . . . . . . . 75.2 mmtt -71.04 -47.51 58.16 Favored 'General case' 0 C--O 1.22 -0.469 0 CA-C-N 116.044 -0.526 . . . . 0.0 111.142 -178.783 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1875 ' ' SER . . . . . 0.427 ' HB3' HD11 ' A' 1882 ' ' LEU . 11.2 p -54.68 -22.08 12.67 Favored 'General case' 0 N--CA 1.466 0.341 0 N-CA-C 113.006 0.743 . . . . 0.0 113.006 -172.638 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1876 ' ' ASN . . . . . . . . . . . . . 94.0 m-20 -70.56 -23.55 62.63 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 111.8 0.296 . . . . 0.0 111.8 -179.781 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1877 ' ' THR . . . . . . . . . . . . . 46.9 p -132.38 -25.8 1.92 Allowed 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 112.317 0.488 . . . . 0.0 112.317 179.571 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1878 ' ' SER . . . . . . . . . . . . . 25.9 m -136.75 107.29 9.04 Favored Pre-proline 0 C--N 1.321 -0.655 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.56 -169.86 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1879 ' ' PRO . . . . . 0.926 ' HG3' ' HB3' ' A' 1941 ' ' PRO . 26.1 Cg_endo -90.39 -7.79 4.07 Favored 'Trans proline' 0 N--CA 1.446 -1.299 0 C-N-CA 122.145 1.897 . . . . 0.0 111.72 172.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1880 ' ' GLU . . . . . . . . . . . . . 28.2 mm-40 -78.35 -36.06 46.67 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.67 179.343 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1881 ' ' GLU . . . . . . . . . . . . . 49.0 mm-40 -67.37 -14.86 63.31 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-O 121.247 0.546 . . . . 0.0 110.827 -179.524 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1882 ' ' LEU . . . . . 0.916 HD12 ' HA ' ' A' 1879 ' ' PRO . 1.1 mt -79.41 -10.66 59.85 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.668 -0.697 . . . . 0.0 112.298 -174.41 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1883 ' ' GLY . . . . . . . . . . . . . . . -65.75 -61.57 5.48 Favored Glycine 0 N--CA 1.453 -0.214 0 C-N-CA 120.43 -0.891 . . . . 0.0 112.131 176.522 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1884 ' ' PRO . . . . . 0.432 ' O ' ' HB2' ' A' 1888 ' ' GLN . 14.0 Cg_endo -59.01 -38.7 86.38 Favored 'Trans proline' 0 N--CA 1.462 -0.351 0 C-N-CA 122.413 2.075 . . . . 0.0 112.095 175.831 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1885 ' ' LEU . . . . . . . . . . . . . 81.0 mt -61.71 -43.69 98.36 Favored 'General case' 0 N--CA 1.463 0.2 0 N-CA-C 111.688 0.255 . . . . 0.0 111.688 -178.597 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1886 ' ' ALA . . . . . . . . . . . . . . . -63.42 -48.41 77.92 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.895 0.379 . . . . 0.0 110.951 -179.001 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1887 ' ' ASN . . . . . . . . . . . . . 94.1 m-20 -68.02 -30.59 69.87 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.217 -179.872 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1888 ' ' GLN . . . . . 0.432 ' HB2' ' O ' ' A' 1884 ' ' PRO . 0.9 OUTLIER -63.61 -56.17 17.97 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.637 -0.71 . . . . 0.0 109.994 178.515 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A 1889 ' ' LEU . . . . . 0.551 HD11 HG12 ' A' 1868 ' ' VAL . 1.1 tt -53.32 -43.05 67.32 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.143 -0.935 . . . . 0.0 109.596 178.644 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1890 ' ' THR . . . . . . . . . . . . . 40.7 m -60.18 -44.22 95.24 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.453 -0.794 . . . . 0.0 111.059 179.203 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1891 ' ' SER . . . . . . . . . . . . . 35.9 m -67.13 -44.65 79.33 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.154 -178.434 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1892 ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -64.63 -44.35 90.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.211 -179.343 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1893 ' ' TYR . . . . . . . . . . . . . 41.0 t80 -57.42 -41.37 80.26 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-O 120.613 0.245 . . . . 0.0 110.679 177.554 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1894 ' ' GLY . . . . . . . . . . . . . . . -56.5 -38.82 82.41 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 121.087 -0.578 . . . . 0.0 112.3 178.268 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1895 ' ' ARG . . . . . . . . . . . . . 74.6 ttt180 -71.84 -47.4 53.39 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.089 0.471 . . . . 0.0 110.185 176.54 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1896 ' ' LEU . . . . . 0.674 HD12 ' HB2' ' A' 1857 ' ' MET . 60.1 tp -55.43 -55.54 30.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.564 -0.744 . . . . 0.0 111.8 -177.705 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1897 ' ' ALA . . . . . . . . . . . . . . . -64.06 -24.29 67.65 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.812 -175.69 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1898 ' ' SER . . . . . . . . . . . . . 50.6 m -82.6 -32.85 28.2 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.128 0.489 . . . . 0.0 110.196 -177.272 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1899 ' ' GLN . . . . . 0.406 HE21 ' HB2' ' A' 1899 ' ' GLN . 15.6 mt-30 -73.96 -9.47 58.67 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.502 -0.772 . . . . 0.0 110.551 178.615 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1900 ' ' ALA . . . . . . . . . . . . . . . -71.82 -32.7 67.83 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.32 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1901 ' ' LYS . . . . . 0.419 ' N ' ' HD2' ' A' 1902 ' ' PRO . 21.8 tptm -67.84 -56.66 11.18 Favored Pre-proline 0 CA--C 1.537 0.464 0 C-N-CA 120.864 -0.334 . . . . 0.0 111.491 -177.62 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1902 ' ' PRO . . . . . 0.464 ' HB2' ' CE1' ' A' 1853 ' ' TYR . 28.5 Cg_endo -63.24 -25.76 72.13 Favored 'Trans proline' 0 C--N 1.354 0.825 0 C-N-CA 122.001 1.801 . . . . 0.0 112.353 179.62 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1903 ' ' ALA . . . . . 0.465 ' HB2' ' HB3' ' A' 1853 ' ' TYR . . . -74.47 -29.92 61.64 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.966 0.412 . . . . 0.0 110.688 178.101 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1904 ' ' ALA . . . . . . . . . . . . . . . -76.21 -28.22 57.12 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.777 -177.612 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1905 ' ' VAL . . . . . 0.411 HG22 ' HA ' ' A' 1902 ' ' PRO . 34.4 m -92.22 -3.88 10.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.552 178.645 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1906 ' ' ALA . . . . . 0.538 ' O ' ' HB2' ' A' 1850 ' ' PHE . . . -111.25 9.55 21.73 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.234 177.082 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1907 ' ' ALA . . . . . . . . . . . . . . . -64.48 135.12 55.74 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.438 -0.801 . . . . 0.0 111.828 -176.232 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1908 ' ' GLU . . . . . 0.589 ' HA ' ' HB3' ' A' 1847 ' ' GLU . 43.6 mt-10 -73.4 -27.22 61.34 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.571 -0.741 . . . . 0.0 110.271 177.425 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1909 ' ' ASN . . . . . 0.418 ' HB2' ' CD1' ' A' 1912 ' ' ILE . 85.9 m-20 -137.56 159.02 43.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.012 -179.565 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1910 ' ' GLU . . . . . . . . . . . . . 27.3 tt0 -55.96 -53.67 54.1 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 123.701 0.626 . . . . 0.0 111.693 -177.666 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1911 ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -62.91 -39.08 93.45 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.72 -0.673 . . . . 0.0 111.46 -174.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1912 ' ' ILE . . . . . 0.627 ' O ' HG13 ' A' 1916 ' ' ILE . 80.6 mt -52.12 -53.4 18.64 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 O-C-N 123.308 0.38 . . . . 0.0 110.715 -178.886 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1913 ' ' GLY . . . . . 0.579 ' HA2' HD12 ' A' 1916 ' ' ILE . . . -65.55 -26.83 72.06 Favored Glycine 0 CA--C 1.517 0.208 0 C-N-CA 120.968 -0.635 . . . . 0.0 112.702 -179.085 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1914 ' ' ALA . . . . . . . . . . . . . . . -76.15 -42.25 47.34 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.737 0.303 . . . . 0.0 110.642 179.855 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1915 ' ' HIS . . . . . 0.585 ' O ' ' HG2' ' A' 1919 ' ' ARG . 96.1 m-70 -66.09 -36.4 83.08 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.841 -178.609 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1916 ' ' ILE . . . . . 0.627 HG13 ' O ' ' A' 1912 ' ' ILE . 89.9 mt -52.9 -57.21 4.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.01 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1917 ' ' LYS . . . . . 0.418 ' HA ' HG22 ' A' 1920 ' ' VAL . 9.5 mtmp? -68.66 -26.92 65.56 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.713 -179.351 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1918 ' ' HIS . . . . . . . . . . . . . 49.9 t-80 -63.98 -44.9 91.31 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.234 0.54 . . . . 0.0 110.009 177.588 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1919 ' ' ARG . . . . . 0.609 ' HD2' ' HB3' ' A' 1963 ' ' HIS . 21.7 mmt180 -76.74 -29.2 56.06 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.438 -0.801 . . . . 0.0 111.97 -172.422 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1920 ' ' VAL . . . . . 0.418 HG22 ' HA ' ' A' 1917 ' ' LYS . 24.6 m -78.84 -26.28 13.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 C-N-CA 120.337 -0.545 . . . . 0.0 110.439 177.262 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1921 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.37 -40.17 64.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.073 0.463 . . . . 0.0 110.188 179.406 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1922 ' ' GLU . . . . . 0.576 ' HG3' ' HG3' ' A' 1960 ' ' LYS . 10.9 pt-20 -72.43 -28.22 62.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 109.925 179.659 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1923 ' ' LEU . . . . . 1.018 ' HG ' ' HB3' ' A' 1960 ' ' LYS . 4.5 mt -71.51 -37.88 71.17 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.518 174.08 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1924 ' ' GLY . . . . . . . . . . . . . . . -54.53 -45.42 76.9 Favored Glycine 0 N--CA 1.453 -0.199 0 CA-C-N 116.15 -0.477 . . . . 0.0 113.008 -178.461 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1925 ' ' HIS . . . . . . . . . . . . . 33.3 m170 -62.39 -48.07 81.36 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.038 0.447 . . . . 0.0 110.458 179.27 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1926 ' ' GLY . . . . . 0.479 ' HA3' HG12 ' A' 1957 ' ' VAL . . . -68.12 -43.53 80.54 Favored Glycine 0 N--CA 1.448 -0.53 0 CA-C-N 115.756 -0.656 . . . . 0.0 112.934 -176.764 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1927 ' ' CYS . . . . . . . . . . . . . 82.4 m -61.81 -46.63 88.69 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.714 0.292 . . . . 0.0 111.049 -178.833 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1928 ' ' SER . . . . . . . . . . . . . 15.9 m -65.39 -36.85 85.21 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.776 -178.129 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1929 ' ' ALA . . . . . . . . . . . . . . . -70.19 -40.67 74.47 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.04 0.448 . . . . 0.0 110.482 177.185 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1930 ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -61.9 -51.82 66.61 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.631 -178.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1931 ' ' VAL . . . . . . . . . . . . . 31.7 m -63.15 -28.4 45.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.623 -0.262 . . . . 0.0 111.125 -177.683 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1932 ' ' THR . . . . . . . . . . . . . 91.8 m -65.12 -48.09 74.83 Favored 'General case' 0 N--CA 1.453 -0.3 0 N-CA-C 109.914 -0.402 . . . . 0.0 109.914 175.283 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1933 ' ' LYS . . . . . . . . . . . . . 74.0 mmtt -69.6 -35.54 75.41 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.919 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1934 ' ' ALA . . . . . . . . . . . . . . . -59.57 -50.15 75.0 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.601 176.369 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1935 ' ' GLY . . . . . . . . . . . . . . . -67.51 -35.43 86.72 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.816 -0.707 . . . . 0.0 112.028 177.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1936 ' ' ALA . . . . . . . . . . . . . . . -63.9 -46.39 85.07 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.552 0.215 . . . . 0.0 111.138 178.706 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1937 ' ' LEU . . . . . 0.413 ' N ' HG21 ' A' 1946 ' ' THR . 36.2 tp -69.05 -30.55 68.91 Favored 'General case' 0 CA--C 1.514 -0.406 0 CA-C-O 121.277 0.561 . . . . 0.0 109.851 178.295 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1938 ' ' GLN . . . . . . . . . . . . . 11.1 tt0 -60.51 -40.09 90.15 Favored 'General case' 0 N--CA 1.444 -0.749 0 CA-C-N 115.387 -0.824 . . . . 0.0 110.246 177.558 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1939 ' ' CYS . . . . . . . . . . . . . 86.3 m -79.61 -32.64 41.87 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.153 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1940 ' ' SER . . . . . . . . . . . . . 45.6 m -122.47 81.75 46.77 Favored Pre-proline 0 C--N 1.327 -0.386 0 CA-C-O 120.875 0.369 . . . . 0.0 110.692 178.042 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1941 ' ' PRO . . . . . 0.926 ' HB3' ' HG3' ' A' 1879 ' ' PRO . 23.3 Cg_exo -67.25 -22.32 46.67 Favored 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 123.332 2.688 . . . . 0.0 113.149 -174.317 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1942 ' ' SER . . . . . . . . . . . . . 44.7 m -99.09 11.66 38.38 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.236 -176.129 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1943 ' ' ASP . . . . . . . . . . . . . 19.3 t70 -98.33 107.39 19.84 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.935 0.397 . . . . 0.0 110.044 177.03 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1944 ' ' VAL . . . . . . . . . . . . . 10.6 p -72.64 -27.87 26.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.312 -175.505 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1945 ' ' TYR . . . . . . . . . . . . . 90.4 m-85 -64.76 -45.47 86.25 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.978 0.418 . . . . 0.0 110.35 -177.435 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1946 ' ' THR . . . . . 0.413 HG21 ' N ' ' A' 1937 ' ' LEU . 55.3 m -60.9 -40.62 93.8 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.622 176.252 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1947 ' ' LYS . . . . . . . . . . . . . 28.2 ttpt -64.67 -42.15 95.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.088 179.501 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1948 ' ' LYS . . . . . 0.569 ' HE2' ' HA ' ' A' 1948 ' ' LYS . 8.6 mmpt? -55.82 -50.56 70.2 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.856 179.278 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1949 ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 -58.43 -35.78 72.61 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.046 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1950 ' ' LEU . . . . . 0.406 HD21 ' HB3' ' A' 1871 ' ' MET . 6.8 tt -63.35 -51.87 64.16 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.105 179.641 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1951 ' ' ILE . . . . . 0.6 ' HA ' HG12 ' A' 1872 ' ' VAL . 1.8 mp -60.24 -45.43 96.17 Favored 'Isoleucine or valine' 0 C--O 1.235 0.32 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.849 179.892 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1952 ' ' GLU . . . . . 0.513 ' O ' ' HG3' ' A' 1956 ' ' ARG . 7.6 mm-40 -62.91 -35.83 81.37 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.403 -177.778 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1953 ' ' CYS . . . . . 0.427 ' O ' HG13 ' A' 1957 ' ' VAL . 16.5 t -77.01 -46.76 22.72 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.584 -0.28 . . . . 0.0 111.009 -177.149 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1954 ' ' ALA . . . . . . . . . . . . . . . -60.98 -40.07 92.03 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 112.173 0.435 . . . . 0.0 112.173 -174.812 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1955 ' ' ARG . . . . . 0.421 HH21 ' CD ' ' A' 1952 ' ' GLU . 47.0 ptt85 -67.93 -24.65 65.21 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 120.954 -0.298 . . . . 0.0 111.013 -179.058 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1956 ' ' ARG . . . . . 0.513 ' HG3' ' O ' ' A' 1952 ' ' GLU . 25.3 mtm180 -81.55 -40.06 23.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.827 0.346 . . . . 0.0 111.212 179.432 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1957 ' ' VAL . . . . . 0.479 HG12 ' HA3' ' A' 1926 ' ' GLY . 9.9 m -71.74 -23.65 22.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.601 -0.272 . . . . 0.0 111.019 -176.569 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1958 ' ' SER . . . . . 0.728 ' O ' HG22 ' A' 1961 ' ' VAL . 19.8 t -64.81 -23.77 67.34 Favored 'General case' 0 C--O 1.222 -0.383 0 CA-C-N 116.525 -0.307 . . . . 0.0 110.231 178.186 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1959 ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -69.8 -38.71 76.73 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.346 0.593 . . . . 0.0 109.653 174.633 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1960 ' ' LYS . . . . . 1.018 ' HB3' ' HG ' ' A' 1923 ' ' LEU . 13.0 mptt -63.68 -33.1 74.88 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.303 -0.862 . . . . 0.0 110.631 -178.644 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1961 ' ' VAL . . . . . 0.806 HG21 ' HB2' ' A' 1865 ' ' ALA . 1.6 m -66.11 -38.79 82.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 116.16 -0.473 . . . . 0.0 109.98 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1962 ' ' SER . . . . . 0.485 ' HA ' HD12 ' A' 1965 ' ' LEU . 3.4 m -70.57 -25.69 63.19 Favored 'General case' 0 N--CA 1.442 -0.836 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.165 177.077 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1963 ' ' HIS . . . . . 0.609 ' HB3' ' HD2' ' A' 1919 ' ' ARG . 67.5 m170 -72.3 -39.26 68.42 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.379 -0.828 . . . . 0.0 110.346 179.655 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1964 ' ' VAL . . . . . 0.505 ' O ' HD23 ' A' 1968 ' ' LEU . 92.3 t -60.27 -42.38 90.33 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.151 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 173.186 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1965 ' ' LEU . . . . . 0.633 ' HG ' ' O ' ' A' 1961 ' ' VAL . 65.8 mt -58.65 -47.87 82.98 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.48 -0.782 . . . . 0.0 111.066 179.142 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1966 ' ' ALA . . . . . . . . . . . . . . . -70.03 -30.26 67.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.854 -177.887 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1967 ' ' ALA . . . . . . . . . . . . . . . -69.62 -48.05 61.37 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.864 0.364 . . . . 0.0 110.992 179.587 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1968 ' ' LEU . . . . . 0.554 HD21 ' SD ' ' A' 1857 ' ' MET . 4.2 mm? -78.91 -42.3 27.5 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.766 -174.838 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1969 ' ' GLN . . . . . . . . . . . . . 47.6 mt-30 -81.4 14.55 2.41 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.674 0.273 . . . . 0.0 111.487 -175.478 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1970 ' ' ALA . . . . . . . . . . . . . . . -68.17 -72.24 0.18 Allowed 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.947 -0.39 . . . . 0.0 109.947 175.087 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1971 ' ' GLY . . . . . . . . . . . . . . . 67.92 -125.88 22.85 Favored Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.845 -0.693 . . . . 0.0 112.7 178.724 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1972 ' ' ASN . . . . . . . . . . . . . 14.6 t-20 -88.75 84.34 6.7 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.114 0.483 . . . . 0.0 110.932 -176.115 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1973 ' ' ARG . . . . . . . . . . . . . 5.2 ptp85 . . . . . 0 C--O 1.248 0.998 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.035 175.53 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A 1837 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.789 0 N-CA-C 112.236 -0.346 . . . . 0.0 112.236 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A 1838 ' ' ILE . . . . . . . . . . . . . 49.0 mm -117.91 -64.42 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 N-CA-C 109.67 -0.492 . . . . 0.0 109.67 178.803 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1839 ' ' ASP . . . . . 0.47 ' HA ' ' HD3' ' A' 1840 ' ' PRO . 10.5 m-20 69.04 125.89 0.03 OUTLIER Pre-proline 0 N--CA 1.468 0.426 0 CA-C-N 114.899 -1.046 . . . . 0.0 111.632 177.796 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1840 ' ' PRO . . . . . 0.47 ' HD3' ' HA ' ' A' 1839 ' ' ASP . 2.0 Cg_endo -81.11 37.15 0.66 Allowed 'Trans proline' 0 N--CA 1.462 -0.325 0 C-N-CA 123.332 2.688 . . . . 0.0 111.794 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1841 ' ' PHE . . . . . . . . . . . . . 91.4 m-85 -130.17 162.56 28.61 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.079 -177.857 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1842 ' ' THR . . . . . 0.544 ' HA ' ' OD1' ' A' 1845 ' ' ASP . 37.1 p 49.24 73.6 0.23 Allowed 'General case' 0 C--N 1.332 -0.188 0 O-C-N 123.931 0.769 . . . . 0.0 111.449 -176.886 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1843 ' ' MET . . . . . . . . . . . . . 26.1 ptt? -73.63 -32.41 64.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.622 -0.717 . . . . 0.0 111.711 -175.764 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1844 ' ' GLY . . . . . . . . . . . . . . . -151.09 37.95 0.85 Allowed Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 120.712 -0.756 . . . . 0.0 111.789 -179.735 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1845 ' ' ASP . . . . . 0.544 ' OD1' ' HA ' ' A' 1842 ' ' THR . 7.1 m-20 -89.34 150.22 44.28 Favored Pre-proline 0 C--N 1.323 -0.577 0 N-CA-C 110.224 -0.287 . . . . 0.0 110.224 -178.661 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1846 ' ' PRO . . . . . . . . . . . . . 6.4 Cg_endo -49.55 -69.0 0.08 OUTLIER 'Trans proline' 0 C--N 1.347 0.46 0 C-N-CA 123.506 2.804 . . . . 0.0 113.364 -176.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1847 ' ' GLU . . . . . 0.489 ' HB3' ' HG2' ' A' 1908 ' ' GLU . 0.0 OUTLIER -128.41 -36.26 1.91 Allowed 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.006 0.432 . . . . 0.0 111.952 -178.043 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A 1848 ' ' GLY . . . . . . . . . . . . . . . 117.94 44.81 0.52 Allowed Glycine 0 C--N 1.316 -0.537 0 C-N-CA 120.899 -0.667 . . . . 0.0 112.871 177.484 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1849 ' ' SER . . . . . . . . . . . . . 3.1 m 57.98 45.11 18.6 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-O 121.108 0.48 . . . . 0.0 111.388 178.404 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1850 ' ' PHE . . . . . . . . . . . . . 89.3 t80 -58.23 -31.08 67.03 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.914 -179.026 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1851 ' ' VAL . . . . . . . . . . . . . 17.2 m -61.61 -29.48 46.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.811 -176.501 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1852 ' ' ASP . . . . . . . . . . . . . 21.4 t70 -70.1 -50.22 43.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.977 0.418 . . . . 0.0 110.36 -179.66 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1853 ' ' TYR . . . . . 0.496 ' O ' ' HG2' ' A' 1857 ' ' MET . 36.0 m-85 -66.82 -37.22 84.1 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.64 -0.709 . . . . 0.0 109.947 179.415 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1854 ' ' GLN . . . . . 0.842 ' HG3' ' HB3' ' A' 1968 ' ' LEU . 48.0 tt0 -56.27 -58.67 6.97 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.324 -0.853 . . . . 0.0 111.083 177.036 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1855 ' ' THR . . . . . 0.454 ' O ' ' HG2' ' A' 1859 ' ' ARG . 28.7 m -59.24 -41.15 88.06 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.854 -0.612 . . . . 0.0 112.035 -174.194 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1856 ' ' THR . . . . . 0.456 HG22 ' O ' ' A' 1853 ' ' TYR . 15.0 t -66.71 -46.19 76.32 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 111.993 0.368 . . . . 0.0 111.993 -174.034 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1857 ' ' MET . . . . . 0.496 ' HG2' ' O ' ' A' 1853 ' ' TYR . 13.6 ptm -79.93 -24.15 41.26 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.828 -0.349 . . . . 0.0 111.455 -173.085 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1858 ' ' VAL . . . . . 0.416 HG13 ' O ' ' A' 1854 ' ' GLN . 19.1 m -72.99 -34.53 46.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 C-N-CA 119.704 -0.799 . . . . 0.0 109.42 173.662 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1859 ' ' ARG . . . . . 0.454 ' HG2' ' O ' ' A' 1855 ' ' THR . 15.5 mmm180 -66.25 -39.31 89.41 Favored 'General case' 0 CA--C 1.52 -0.191 0 N-CA-C 109.406 -0.59 . . . . 0.0 109.406 173.036 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1860 ' ' THR . . . . . 0.515 ' O ' HG13 ' A' 1864 ' ' ILE . 33.8 m -64.54 -41.37 96.39 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.516 -0.765 . . . . 0.0 110.678 178.086 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1861 ' ' ALA . . . . . 0.453 ' HB1' ' HB ' ' A' 1961 ' ' VAL . . . -62.48 -39.92 95.0 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.897 0.38 . . . . 0.0 110.725 177.29 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1862 ' ' LYS . . . . . . . . . . . . . 59.6 mttm -67.09 -33.42 75.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.394 176.886 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1863 ' ' ALA . . . . . . . . . . . . . . . -65.25 -45.63 83.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.061 175.194 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1864 ' ' ILE . . . . . 0.663 HG12 ' HB3' ' A' 1892 ' ' ASP . 58.1 mt -59.29 -43.65 90.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.179 175.65 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1865 ' ' ALA . . . . . 0.746 ' HB2' HG21 ' A' 1961 ' ' VAL . . . -59.4 -44.72 92.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.842 -178.675 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1866 ' ' VAL . . . . . 0.487 ' HA ' ' HG2' ' A' 1869 ' ' GLN . 10.4 p -74.51 -27.09 20.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 C-N-CA 120.599 -0.44 . . . . 0.0 110.487 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1867 ' ' THR . . . . . 0.635 ' O ' ' HG3' ' A' 1871 ' ' MET . 68.3 m -67.22 -56.87 8.07 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 110.132 -0.321 . . . . 0.0 110.132 173.763 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1868 ' ' VAL . . . . . 0.575 ' HA ' ' SD ' ' A' 1871 ' ' MET . 32.5 m -62.79 -34.39 65.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.685 -175.537 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1869 ' ' GLN . . . . . 0.515 ' O ' HG22 ' A' 1872 ' ' VAL . 1.5 pt20 -72.67 -32.56 65.92 Favored 'General case' 0 N--CA 1.452 -0.372 0 C-N-CA 120.714 -0.394 . . . . 0.0 110.46 -177.907 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1870 ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -70.82 -29.33 65.46 Favored 'General case' 0 C--O 1.217 -0.611 0 C-N-CA 120.817 -0.353 . . . . 0.0 110.428 175.524 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1871 ' ' MET . . . . . 0.635 ' HG3' ' O ' ' A' 1867 ' ' THR . 59.3 mtp -61.45 -42.57 98.96 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.628 0.252 . . . . 0.0 110.364 179.61 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1872 ' ' VAL . . . . . 0.99 ' HB ' HG13 ' A' 1951 ' ' ILE . 1.1 m -72.51 -29.17 30.08 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.383 0 CA-C-O 121.672 0.749 . . . . 0.0 110.273 178.813 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1873 ' ' THR . . . . . . . . . . . . . 91.0 m -79.22 -37.39 38.25 Favored 'General case' 0 C--N 1.315 -0.929 0 CA-C-N 114.642 -1.163 . . . . 0.0 110.797 -177.439 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1874 ' ' LYS . . . . . . . . . . . . . 73.2 mmtt -74.35 -41.32 61.25 Favored 'General case' 0 C--O 1.217 -0.647 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.897 179.245 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1875 ' ' SER . . . . . . . . . . . . . 33.0 p -53.51 -19.81 4.14 Favored 'General case' 0 N--CA 1.465 0.318 0 N-CA-C 112.899 0.703 . . . . 0.0 112.899 -173.359 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1876 ' ' ASN . . . . . . . . . . . . . 91.2 m-20 -72.95 -40.85 65.03 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 111.774 0.287 . . . . 0.0 111.774 -178.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1877 ' ' THR . . . . . . . . . . . . . 34.3 p -122.4 -16.53 7.32 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 112.209 0.448 . . . . 0.0 112.209 -177.378 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1878 ' ' SER . . . . . . . . . . . . . 52.5 m -135.49 100.8 11.19 Favored Pre-proline 0 C--N 1.319 -0.747 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.566 -175.001 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1879 ' ' PRO . . . . . 0.958 ' HA ' HD12 ' A' 1882 ' ' LEU . 36.4 Cg_endo -91.15 2.94 4.51 Favored 'Trans proline' 0 N--CA 1.445 -1.355 0 C-N-CA 121.604 1.536 . . . . 0.0 110.905 171.515 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1880 ' ' GLU . . . . . 0.407 ' H ' ' HG2' ' A' 1880 ' ' GLU . 9.5 pt-20 -85.68 -38.72 18.03 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 114.771 -1.104 . . . . 0.0 110.995 178.837 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1881 ' ' GLU . . . . . . . . . . . . . 22.6 mm-40 -66.46 -14.91 62.88 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-O 121.317 0.58 . . . . 0.0 111.029 -179.48 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1882 ' ' LEU . . . . . 0.958 HD12 ' HA ' ' A' 1879 ' ' PRO . 4.9 mt -79.11 -3.1 43.77 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 115.458 -0.792 . . . . 0.0 111.52 -176.165 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1883 ' ' GLY . . . . . . . . . . . . . . . -76.31 -61.36 2.82 Favored Glycine 0 N--CA 1.447 -0.611 0 C-N-CA 120.454 -0.879 . . . . 0.0 111.333 170.378 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1884 ' ' PRO . . . . . . . . . . . . . 41.9 Cg_exo -58.85 -44.37 36.41 Favored 'Trans proline' 0 C--N 1.348 0.53 0 C-N-CA 122.775 2.317 . . . . 0.0 112.57 175.512 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1885 ' ' LEU . . . . . 0.435 ' HB3' ' HG2' ' A' 1871 ' ' MET . 66.2 mt -59.5 -33.77 71.77 Favored 'General case' 0 N--CA 1.464 0.231 0 N-CA-C 112.122 0.416 . . . . 0.0 112.122 -176.583 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1886 ' ' ALA . . . . . . . . . . . . . . . -69.1 -47.16 65.91 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.974 0.416 . . . . 0.0 110.712 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1887 ' ' ASN . . . . . . . . . . . . . 93.5 m-20 -68.78 -27.61 66.04 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.171 0.51 . . . . 0.0 110.004 177.587 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1888 ' ' GLN . . . . . . . . . . . . . 52.5 tp60 -64.9 -54.96 22.57 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.374 -0.83 . . . . 0.0 110.019 175.648 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1889 ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -52.4 -46.05 66.14 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.443 0.639 . . . . 0.0 109.633 177.372 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1890 ' ' THR . . . . . . . . . . . . . 45.3 m -57.57 -45.03 85.69 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.228 -0.896 . . . . 0.0 111.11 179.515 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1891 ' ' SER . . . . . . . . . . . . . 40.9 m -69.83 -39.27 76.55 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.964 -178.775 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1892 ' ' ASP . . . . . 0.663 ' HB3' HG12 ' A' 1864 ' ' ILE . 57.9 m-20 -60.48 -48.64 80.89 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.604 177.741 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1893 ' ' TYR . . . . . . . . . . . . . 75.4 t80 -59.49 -36.88 76.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.852 178.343 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1894 ' ' GLY . . . . . . . . . . . . . . . -59.07 -34.81 81.05 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.988 -0.625 . . . . 0.0 112.478 179.098 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1895 ' ' ARG . . . . . . . . . . . . . 23.6 ttt180 -78.55 -35.86 45.43 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.107 0.48 . . . . 0.0 110.421 178.117 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1896 ' ' LEU . . . . . 0.671 HD11 HG11 ' A' 1964 ' ' VAL . 63.7 tp -68.15 -50.25 55.78 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.35 -179.24 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1897 ' ' ALA . . . . . . . . . . . . . . . -64.76 -24.46 67.56 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.902 -0.59 . . . . 0.0 112.07 -175.26 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1898 ' ' SER . . . . . . . . . . . . . 4.1 p -81.22 -44.1 18.29 Favored 'General case' 0 C--N 1.324 -0.519 0 C-N-CA 120.891 -0.324 . . . . 0.0 110.631 -177.854 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1899 ' ' GLN . . . . . . . . . . . . . 13.9 mm100 -65.57 -18.08 65.06 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.296 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1900 ' ' ALA . . . . . 0.488 ' HA ' ' HE1' ' A' 1857 ' ' MET . . . -63.1 -28.48 70.1 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.324 178.701 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1901 ' ' LYS . . . . . 0.705 ' HB3' ' HD3' ' A' 1902 ' ' PRO . 0.5 OUTLIER -75.2 -56.96 1.82 Allowed Pre-proline 0 CA--C 1.54 0.563 0 C-N-CA 120.839 -0.344 . . . . 0.0 111.143 -177.365 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A 1902 ' ' PRO . . . . . 0.705 ' HD3' ' HB3' ' A' 1901 ' ' LYS . 38.8 Cg_exo -61.49 -27.43 82.18 Favored 'Trans proline' 0 C--N 1.357 1.021 0 C-N-CA 121.994 1.796 . . . . 0.0 112.346 178.848 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1903 ' ' ALA . . . . . . . . . . . . . . . -73.42 -33.46 64.96 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.927 0.394 . . . . 0.0 110.692 177.814 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1904 ' ' ALA . . . . . . . . . . . . . . . -75.97 -31.58 59.09 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.858 -177.484 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1905 ' ' VAL . . . . . 0.452 HG22 ' HA ' ' A' 1902 ' ' PRO . 17.1 m -80.51 -21.03 11.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.822 179.642 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1906 ' ' ALA . . . . . . . . . . . . . . . -96.97 11.01 37.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.189 0.519 . . . . 0.0 110.381 177.901 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1907 ' ' ALA . . . . . 0.417 ' HB1' ' HB ' ' A' 1912 ' ' ILE . . . -92.46 118.28 30.8 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.758 -179.38 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1908 ' ' GLU . . . . . 0.489 ' HG2' ' HB3' ' A' 1847 ' ' GLU . 22.6 mm-40 -67.25 -49.31 64.89 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.815 -179.114 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1909 ' ' ASN . . . . . 0.686 ' HB2' HG13 ' A' 1912 ' ' ILE . 3.2 m-20 -88.31 149.29 23.86 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.458 -176.74 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1910 ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -49.89 -54.18 21.25 Favored 'General case' 0 CA--C 1.516 -0.329 0 O-C-N 123.885 0.741 . . . . 0.0 111.059 -179.781 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1911 ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -70.65 -30.81 67.54 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-N 114.543 -1.208 . . . . 0.0 112.161 -170.06 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1912 ' ' ILE . . . . . 0.686 HG13 ' HB2' ' A' 1909 ' ' ASN . 53.6 mt -56.48 -53.91 34.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 C-N-CA 120.55 -0.46 . . . . 0.0 110.041 -179.702 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1913 ' ' GLY . . . . . . . . . . . . . . . -75.04 -26.27 67.0 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.609 -0.805 . . . . 0.0 112.265 -179.259 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1914 ' ' ALA . . . . . . . . . . . . . . . -72.33 -42.75 65.03 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.78 0.324 . . . . 0.0 110.571 -178.615 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1915 ' ' HIS . . . . . 0.613 ' O ' ' HG2' ' A' 1919 ' ' ARG . 74.6 m-70 -67.02 -40.13 87.18 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.903 -178.531 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1916 ' ' ILE . . . . . 0.548 HG13 ' O ' ' A' 1912 ' ' ILE . 99.1 mt -51.7 -55.29 9.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 O-C-N 123.543 0.527 . . . . 0.0 110.979 178.846 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1917 ' ' LYS . . . . . . . . . . . . . 52.1 mtmt -71.27 -35.4 71.35 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.02 -178.302 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1918 ' ' HIS . . . . . . . . . . . . . 48.0 t-80 -63.37 -38.43 91.13 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.186 -178.442 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1919 ' ' ARG . . . . . 0.613 ' HG2' ' O ' ' A' 1915 ' ' HIS . 31.1 mmt180 -73.69 -47.16 41.71 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.495 -0.32 . . . . 0.0 111.216 -177.054 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1920 ' ' VAL . . . . . 0.41 ' HA ' ' HB2' ' A' 1923 ' ' LEU . 30.0 m -66.42 -26.93 38.89 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-O 120.915 0.388 . . . . 0.0 110.897 -179.03 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1921 ' ' GLN . . . . . . . . . . . . . 24.9 tm0? -62.44 -39.29 92.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.341 177.701 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1922 ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -79.23 -30.37 43.17 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.131 0.491 . . . . 0.0 110.094 179.258 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1923 ' ' LEU . . . . . 0.551 ' HG ' ' HB3' ' A' 1960 ' ' LYS . 4.3 mt -65.13 -34.7 79.01 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.063 178.219 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1924 ' ' GLY . . . . . . . . . . . . . . . -55.22 -41.71 79.86 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 121.111 -0.566 . . . . 0.0 112.354 178.582 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1925 ' ' HIS . . . . . . . . . . . . . 24.0 m170 -66.59 -44.58 81.79 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.919 -0.4 . . . . 0.0 109.919 179.059 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1926 ' ' GLY . . . . . . . . . . . . . . . -64.8 -43.8 95.66 Favored Glycine 0 N--CA 1.449 -0.47 0 CA-C-N 115.657 -0.701 . . . . 0.0 112.355 -178.439 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1927 ' ' CYS . . . . . . . . . . . . . 62.8 m -61.71 -49.56 75.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.821 0.344 . . . . 0.0 110.313 178.519 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1928 ' ' SER . . . . . . . . . . . . . 41.3 t -61.38 -39.1 89.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.99 -179.443 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1929 ' ' ALA . . . . . 0.473 ' O ' ' HG2' ' A' 1933 ' ' LYS . . . -69.05 -46.03 68.9 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.497 -0.319 . . . . 0.0 110.892 179.071 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1930 ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -62.58 -47.52 83.46 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.988 -176.646 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1931 ' ' VAL . . . . . . . . . . . . . 24.4 m -63.22 -27.95 44.09 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.203 0 CA-C-O 120.888 0.375 . . . . 0.0 110.94 -178.247 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1932 ' ' THR . . . . . . . . . . . . . 44.3 m -74.77 -41.19 60.51 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.18 176.519 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1933 ' ' LYS . . . . . 0.473 ' HG2' ' O ' ' A' 1929 ' ' ALA . 74.6 mmtt -65.53 -37.48 86.85 Favored 'General case' 0 C--N 1.333 -0.132 0 CA-C-O 120.989 0.423 . . . . 0.0 110.289 177.071 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1934 ' ' ALA . . . . . . . . . . . . . . . -61.79 -42.65 99.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.594 177.005 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1935 ' ' GLY . . . . . . . . . . . . . . . -67.47 -41.43 90.55 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.009 177.372 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1936 ' ' ALA . . . . . . . . . . . . . . . -61.39 -46.78 88.73 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.44 0.162 . . . . 0.0 111.286 179.031 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1937 ' ' LEU . . . . . 0.484 ' HB2' HG22 ' A' 1946 ' ' THR . 21.7 tp -69.72 -29.73 67.19 Favored 'General case' 0 CA--C 1.517 -0.295 0 CA-C-O 121.105 0.478 . . . . 0.0 110.561 179.247 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1938 ' ' GLN . . . . . 0.428 ' HG3' ' O ' ' A' 1879 ' ' PRO . 7.9 tt0 -66.79 -29.21 69.1 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-O 121.323 0.582 . . . . 0.0 110.008 -179.865 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1939 ' ' CYS . . . . . . . . . . . . . 57.9 m -86.62 -36.71 18.66 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.588 176.432 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1940 ' ' SER . . . . . . . . . . . . . 20.2 m -118.89 78.66 16.34 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.547 -0.297 . . . . 0.0 110.637 178.513 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1941 ' ' PRO . . . . . 0.524 ' HB3' ' HG3' ' A' 1879 ' ' PRO . 11.0 Cg_exo -73.0 -17.61 24.87 Favored 'Trans proline' 0 C--N 1.344 0.32 0 C-N-CA 122.961 2.44 . . . . 0.0 112.67 -174.292 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1942 ' ' SER . . . . . . . . . . . . . 18.6 m -90.42 -2.7 57.96 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.149 -177.668 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1943 ' ' ASP . . . . . . . . . . . . . 12.2 t70 -90.91 111.36 22.75 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.983 0.42 . . . . 0.0 110.036 -178.527 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1944 ' ' VAL . . . . . . . . . . . . . 9.9 p -74.17 -26.77 21.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.811 -177.072 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1945 ' ' TYR . . . . . . . . . . . . . 90.4 m-85 -69.31 -43.48 73.69 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.514 -0.312 . . . . 0.0 110.707 -177.433 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1946 ' ' THR . . . . . 0.484 HG22 ' HB2' ' A' 1937 ' ' LEU . 65.5 m -58.2 -40.63 82.06 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.338 174.506 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1947 ' ' LYS . . . . . . . . . . . . . 22.7 ttpt -66.45 -42.64 87.29 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.303 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1948 ' ' LYS . . . . . 0.497 ' HE2' ' HA ' ' A' 1948 ' ' LYS . 9.3 mmpt? -51.42 -48.23 62.72 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.645 178.576 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1949 ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -60.06 -38.94 84.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.214 -178.511 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1950 ' ' LEU . . . . . 0.546 HD11 HD22 ' A' 1882 ' ' LEU . 7.8 tt -64.84 -50.47 66.53 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.429 -178.383 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1951 ' ' ILE . . . . . 0.99 HG13 ' HB ' ' A' 1872 ' ' VAL . 1.9 mp -60.63 -43.19 94.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-O 120.893 0.378 . . . . 0.0 110.02 177.384 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1952 ' ' GLU . . . . . 0.499 ' O ' ' HG3' ' A' 1956 ' ' ARG . 6.5 mm-40 -64.77 -29.45 70.42 Favored 'General case' 0 CA--C 1.517 -0.32 0 CA-C-N 115.749 -0.659 . . . . 0.0 111.16 -178.747 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1953 ' ' CYS . . . . . 0.414 ' O ' HG13 ' A' 1957 ' ' VAL . 57.1 m -76.19 -51.26 12.48 Favored 'General case' 0 C--N 1.316 -0.89 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.471 179.093 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1954 ' ' ALA . . . . . 0.625 ' HA ' HG22 ' A' 1957 ' ' VAL . . . -62.26 -37.67 86.34 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 111.857 0.317 . . . . 0.0 111.857 -175.331 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1955 ' ' ARG . . . . . . . . . . . . . 7.1 ppt_? -66.49 -25.07 66.53 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.809 0.338 . . . . 0.0 110.803 179.69 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1956 ' ' ARG . . . . . 0.499 ' HG3' ' O ' ' A' 1952 ' ' GLU . 47.2 mtm105 -82.53 -43.67 16.85 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.885 176.718 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1957 ' ' VAL . . . . . 0.626 ' O ' HG13 ' A' 1961 ' ' VAL . 12.6 m -68.51 -29.26 43.37 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.168 0 C-N-CA 120.928 -0.309 . . . . 0.0 111.294 -176.18 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1958 ' ' SER . . . . . 0.628 ' O ' HG22 ' A' 1961 ' ' VAL . 36.7 t -64.24 -24.48 67.68 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-O 120.986 0.422 . . . . 0.0 110.216 177.243 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1959 ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -75.32 -39.3 59.65 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 109.95 -0.389 . . . . 0.0 109.95 173.46 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1960 ' ' LYS . . . . . 0.551 ' HB3' ' HG ' ' A' 1923 ' ' LEU . 71.0 mmtt -61.62 -41.7 97.84 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.127 -0.488 . . . . 0.0 109.907 178.712 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1961 ' ' VAL . . . . . 0.746 HG21 ' HB2' ' A' 1865 ' ' ALA . 3.2 m -65.89 -34.08 67.89 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.345 178.718 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1962 ' ' SER . . . . . 0.543 ' HA ' HD12 ' A' 1965 ' ' LEU . 53.9 m -67.61 -24.97 65.54 Favored 'General case' 0 N--CA 1.454 -0.272 0 CA-C-O 121.268 0.556 . . . . 0.0 110.109 177.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1963 ' ' HIS . . . . . . . . . . . . . 63.8 m170 -80.03 -27.98 39.38 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.36 179.726 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1964 ' ' VAL . . . . . 0.671 HG11 HD11 ' A' 1896 ' ' LEU . 92.5 t -64.81 -47.59 87.91 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.344 0 N-CA-C 108.583 -0.895 . . . . 0.0 108.583 172.618 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1965 ' ' LEU . . . . . 0.575 ' HG ' ' O ' ' A' 1961 ' ' VAL . 20.7 mt -52.58 -52.83 53.27 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.109 -0.95 . . . . 0.0 109.865 176.689 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1966 ' ' ALA . . . . . . . . . . . . . . . -62.68 -44.35 96.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.763 -0.653 . . . . 0.0 112.069 -178.214 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1967 ' ' ALA . . . . . . . . . . . . . . . -58.5 -46.64 86.28 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-O 120.854 0.359 . . . . 0.0 111.084 179.703 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1968 ' ' LEU . . . . . 0.842 ' HB3' ' HG3' ' A' 1854 ' ' GLN . 4.3 mm? -70.03 -30.09 67.29 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.835 179.189 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1969 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.76 -6.73 46.7 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-O 120.671 0.272 . . . . 0.0 111.252 -179.331 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1970 ' ' ALA . . . . . . . . . . . . . . . -75.64 -10.51 59.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.916 0.388 . . . . 0.0 110.285 176.454 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1971 ' ' GLY . . . . . . . . . . . . . . . -82.23 -154.26 13.73 Favored Glycine 0 N--CA 1.447 -0.62 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.923 176.881 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1972 ' ' ASN . . . . . . . . . . . . . 13.3 m120 60.85 75.04 0.43 Allowed 'General case' 0 N--CA 1.465 0.279 0 CA-C-O 121.134 0.492 . . . . 0.0 110.032 -177.617 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1973 ' ' ARG . . . . . . . . . . . . . 27.4 mmm180 . . . . . 0 C--O 1.246 0.877 0 CA-C-O 118.502 -0.761 . . . . 0.0 110.04 -175.879 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A 1837 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.633 0 N-CA-C 111.574 -0.61 . . . . 0.0 111.574 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A 1838 ' ' ILE . . . . . . . . . . . . . 9.6 tt -149.26 127.16 2.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-O 121.037 0.446 . . . . 0.0 110.437 176.816 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1839 ' ' ASP . . . . . . . . . . . . . 20.5 t70 -69.37 125.64 92.1 Favored Pre-proline 0 C--N 1.325 -0.468 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.008 178.429 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1840 ' ' PRO . . . . . . . . . . . . . 94.1 Cg_endo -81.03 5.61 6.11 Favored 'Trans proline' 0 N--CA 1.464 -0.229 0 C-N-CA 122.803 2.335 . . . . 0.0 113.73 -175.459 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1841 ' ' PHE . . . . . . . . . . . . . 94.2 m-85 -102.86 171.6 7.31 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.045 0.45 . . . . 0.0 110.889 -178.31 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1842 ' ' THR . . . . . . . . . . . . . 23.9 p -121.97 14.67 10.73 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.506 -176.261 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1843 ' ' MET . . . . . . . . . . . . . 67.6 mtm 67.03 169.87 0.25 Allowed 'General case' 0 C--O 1.234 0.272 0 CA-C-N 115.389 -0.823 . . . . 0.0 111.695 179.063 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1844 ' ' GLY . . . . . . . . . . . . . . . -73.27 142.08 30.98 Favored Glycine 0 N--CA 1.447 -0.601 0 C-N-CA 120.785 -0.722 . . . . 0.0 111.551 176.899 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1845 ' ' ASP . . . . . . . . . . . . . 1.3 t70 -92.89 114.47 62.7 Favored Pre-proline 0 C--N 1.321 -0.639 0 CA-C-O 121.246 0.546 . . . . 0.0 111.524 179.815 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1846 ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -93.17 -21.55 0.38 Allowed 'Trans proline' 0 N--CA 1.455 -0.758 0 C-N-CA 123.531 2.821 . . . . 0.0 114.073 177.71 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1847 ' ' GLU . . . . . 0.494 ' HB3' ' HG2' ' A' 1908 ' ' GLU . 2.2 pp20? -107.16 -32.86 7.63 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 113.281 0.845 . . . . 0.0 113.281 -168.699 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1848 ' ' GLY . . . . . . . . . . . . . . . 118.23 -47.37 1.04 Allowed Glycine 0 CA--C 1.527 0.789 0 N-CA-C 115.921 1.129 . . . . 0.0 115.921 171.873 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1849 ' ' SER . . . . . . . . . . . . . 20.8 m -137.3 -21.28 1.19 Allowed 'General case' 0 N--CA 1.469 0.5 0 CA-C-N 118.572 1.186 . . . . 0.0 113.958 -165.858 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1850 ' ' PHE . . . . . 0.439 ' HB3' ' CD ' ' A' 1847 ' ' GLU . 94.2 t80 -61.53 -21.36 64.19 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.924 0.392 . . . . 0.0 111.034 -175.558 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1851 ' ' VAL . . . . . . . . . . . . . 20.9 m -52.17 -33.73 17.11 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.322 0 CA-C-N 115.791 -0.641 . . . . 0.0 112.073 178.229 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1852 ' ' ASP . . . . . . . . . . . . . 13.8 t70 -76.1 -45.61 33.07 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-O 121.099 0.476 . . . . 0.0 110.576 -178.275 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1853 ' ' TYR . . . . . 0.667 ' O ' ' HG2' ' A' 1857 ' ' MET . 52.2 m-85 -69.43 -34.05 73.88 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.602 -177.47 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1854 ' ' GLN . . . . . 0.678 ' HG3' ' HB3' ' A' 1968 ' ' LEU . 31.0 tt0 -58.57 -60.08 4.38 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.823 178.009 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1855 ' ' THR . . . . . . . . . . . . . 23.9 m -63.71 -30.38 71.49 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.795 -0.639 . . . . 0.0 112.471 -173.037 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1856 ' ' THR . . . . . 0.499 HG22 ' O ' ' A' 1853 ' ' TYR . 15.1 t -69.92 -50.08 45.61 Favored 'General case' 0 C--N 1.325 -0.485 0 C-N-CA 120.341 -0.543 . . . . 0.0 111.395 -176.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1857 ' ' MET . . . . . 0.688 ' HG3' HD11 ' A' 1968 ' ' LEU . 9.6 ptm -82.1 -16.89 48.4 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 112.258 0.466 . . . . 0.0 112.258 -173.205 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1858 ' ' VAL . . . . . . . . . . . . . 30.6 m -68.72 -40.49 81.63 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.187 0 C-N-CA 119.476 -0.889 . . . . 0.0 108.724 173.626 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1859 ' ' ARG . . . . . 0.575 HH21 ' HD3' ' A' 1862 ' ' LYS . 4.5 mmp_? -64.49 -38.32 90.62 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.683 -0.69 . . . . 0.0 109.867 176.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1860 ' ' THR . . . . . . . . . . . . . 19.4 m -64.74 -45.1 87.91 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.801 177.57 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1861 ' ' ALA . . . . . . . . . . . . . . . -62.04 -40.04 94.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.017 0.437 . . . . 0.0 110.571 177.594 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1862 ' ' LYS . . . . . 0.575 ' HD3' HH21 ' A' 1859 ' ' ARG . 44.9 mttm -64.85 -35.87 82.51 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.511 176.721 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1863 ' ' ALA . . . . . . . . . . . . . . . -69.17 -38.73 78.88 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.424 178.396 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1864 ' ' ILE . . . . . 0.405 HD12 HD22 ' A' 1896 ' ' LEU . 71.4 mt -64.26 -43.82 97.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 116.249 -0.432 . . . . 0.0 109.971 174.213 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1865 ' ' ALA . . . . . 0.807 ' HB2' HG21 ' A' 1961 ' ' VAL . . . -58.55 -45.81 88.15 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.62 179.74 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1866 ' ' VAL . . . . . 0.535 ' O ' ' HG3' ' A' 1870 ' ' GLU . 14.7 p -70.26 -34.7 59.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 C-N-CA 120.369 -0.532 . . . . 0.0 110.451 179.666 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1867 ' ' THR . . . . . 0.642 ' O ' ' HG3' ' A' 1871 ' ' MET . 99.6 m -63.71 -52.7 59.38 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.58 0.229 . . . . 0.0 110.839 177.271 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1868 ' ' VAL . . . . . 0.503 ' HA ' ' SD ' ' A' 1871 ' ' MET . 34.1 m -62.52 -35.03 68.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.6 -0.273 . . . . 0.0 110.817 -177.462 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1869 ' ' GLN . . . . . 0.587 ' O ' HG22 ' A' 1872 ' ' VAL . 2.0 pt20 -74.4 -26.58 60.18 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 120.767 -0.373 . . . . 0.0 110.166 -179.488 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1870 ' ' GLU . . . . . 0.535 ' HG3' ' O ' ' A' 1866 ' ' VAL . 46.0 mt-10 -68.36 -37.2 80.23 Favored 'General case' 0 C--O 1.223 -0.337 0 N-CA-C 109.775 -0.454 . . . . 0.0 109.775 172.755 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1871 ' ' MET . . . . . 0.642 ' HG3' ' O ' ' A' 1867 ' ' THR . 41.7 mtp -60.87 -39.38 88.98 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.778 -178.36 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1872 ' ' VAL . . . . . 0.954 ' HB ' HG13 ' A' 1951 ' ' ILE . 1.9 m -73.17 -28.63 26.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 121.43 0.633 . . . . 0.0 110.597 179.162 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1873 ' ' THR . . . . . . . . . . . . . 28.5 m -80.93 -51.53 8.45 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-N 115.167 -0.924 . . . . 0.0 111.445 -178.116 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1874 ' ' LYS . . . . . 0.529 ' HG3' HD11 ' A' 1885 ' ' LEU . 74.0 mmtt -63.42 -36.14 82.73 Favored 'General case' 0 C--O 1.222 -0.378 0 CA-C-N 115.647 -0.706 . . . . 0.0 111.568 -176.262 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1875 ' ' SER . . . . . 0.543 ' HB3' HD11 ' A' 1882 ' ' LEU . 5.5 p -56.42 -16.72 6.23 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 113.273 0.842 . . . . 0.0 113.273 -173.144 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1876 ' ' ASN . . . . . . . . . . . . . 58.3 m-80 -75.18 -38.01 61.01 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.622 0.249 . . . . 0.0 111.484 -179.188 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1877 ' ' THR . . . . . . . . . . . . . 46.1 p -117.14 -30.21 5.71 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.261 0.553 . . . . 0.0 111.473 -177.655 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1878 ' ' SER . . . . . 0.406 ' HB3' ' HB2' ' A' 1881 ' ' GLU . 70.3 m -125.31 94.0 44.06 Favored Pre-proline 0 C--N 1.319 -0.731 0 CA-C-N 115.663 -0.699 . . . . 0.0 111.613 -174.753 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1879 ' ' PRO . . . . . 0.943 ' HA ' HD12 ' A' 1882 ' ' LEU . 38.0 Cg_endo -86.21 -16.53 4.07 Favored 'Trans proline' 0 N--CA 1.444 -1.387 0 C-N-CA 121.213 1.275 . . . . 0.0 111.435 171.135 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1880 ' ' GLU . . . . . 0.505 ' OE1' ' HD2' ' A' 1879 ' ' PRO . 37.9 mp0 -73.57 -31.93 63.88 Favored 'General case' 0 C--O 1.231 0.081 0 CA-C-O 121.205 0.526 . . . . 0.0 109.837 175.348 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1881 ' ' GLU . . . . . 0.406 ' HB2' ' HB3' ' A' 1878 ' ' SER . 6.2 tp10 -69.76 -14.37 62.74 Favored 'General case' 0 N--CA 1.445 -0.703 0 CA-C-O 121.784 0.802 . . . . 0.0 110.497 -177.588 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1882 ' ' LEU . . . . . 0.943 HD12 ' HA ' ' A' 1879 ' ' PRO . 0.7 OUTLIER -77.76 -6.43 54.01 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.327 -0.851 . . . . 0.0 112.296 -175.78 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A 1883 ' ' GLY . . . . . . . . . . . . . . . -71.62 -61.08 3.99 Favored Glycine 0 N--CA 1.447 -0.589 0 C-N-CA 120.264 -0.969 . . . . 0.0 111.362 173.571 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1884 ' ' PRO . . . . . 0.495 ' HA ' ' OD1' ' A' 1887 ' ' ASN . 37.4 Cg_endo -67.78 -10.13 27.79 Favored 'Trans proline' 0 C--N 1.347 0.496 0 C-N-CA 122.734 2.29 . . . . 0.0 112.875 176.44 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1885 ' ' LEU . . . . . 0.529 HD11 ' HG3' ' A' 1874 ' ' LYS . 36.6 mt -82.21 -36.64 27.04 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.994 0.426 . . . . 0.0 110.58 171.266 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1886 ' ' ALA . . . . . . . . . . . . . . . -71.38 -45.97 61.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.252 -178.466 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1887 ' ' ASN . . . . . 0.495 ' OD1' ' HA ' ' A' 1884 ' ' PRO . 18.3 p-10 -67.99 -26.95 66.16 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.136 0.493 . . . . 0.0 109.729 178.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1888 ' ' GLN . . . . . 0.464 ' HG3' HG21 ' A' 1867 ' ' THR . 25.9 tp60 -69.47 -48.7 59.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.611 177.799 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1889 ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -56.04 -49.35 73.98 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 108.985 -0.746 . . . . 0.0 108.985 175.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1890 ' ' THR . . . . . . . . . . . . . 32.6 m -57.34 -45.37 84.39 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.057 -0.974 . . . . 0.0 111.242 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1891 ' ' SER . . . . . . . . . . . . . 28.8 t -64.7 -46.68 81.31 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.01 -178.757 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1892 ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -67.54 -39.82 85.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.926 -177.336 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1893 ' ' TYR . . . . . . . . . . . . . 43.1 t80 -60.53 -44.18 96.37 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.538 -0.301 . . . . 0.0 110.916 178.215 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1894 ' ' GLY . . . . . . . . . . . . . . . -55.01 -42.01 79.4 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.738 -0.744 . . . . 0.0 111.645 178.586 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1895 ' ' ARG . . . . . . . . . . . . . 37.1 ttp180 -64.05 -47.61 79.51 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.492 -0.354 . . . . 0.0 110.539 177.489 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1896 ' ' LEU . . . . . 0.48 HD12 ' HB2' ' A' 1857 ' ' MET . 51.4 tp -57.42 -47.19 82.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.921 177.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1897 ' ' ALA . . . . . . . . . . . . . . . -63.29 -24.42 67.85 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.311 -179.425 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1898 ' ' SER . . . . . . . . . . . . . 48.4 m -80.03 -23.82 41.18 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.124 -178.013 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1899 ' ' GLN . . . . . 0.445 ' O ' ' HD2' ' A' 1902 ' ' PRO . 14.7 mm100 -84.12 -21.38 31.43 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.576 179.824 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1900 ' ' ALA . . . . . . . . . . . . . . . -64.59 -33.96 77.15 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.609 -179.809 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1901 ' ' LYS . . . . . 0.685 ' HB3' ' HD3' ' A' 1902 ' ' PRO . 58.8 tptt -64.77 -57.53 16.1 Favored Pre-proline 0 CA--C 1.542 0.666 0 CA-C-N 116.289 -0.414 . . . . 0.0 112.047 -176.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1902 ' ' PRO . . . . . 0.685 ' HD3' ' HB3' ' A' 1901 ' ' LYS . 6.8 Cg_exo -73.41 -24.18 16.7 Favored 'Trans proline' 0 C--N 1.354 0.861 0 C-N-CA 122.024 1.816 . . . . 0.0 112.5 -177.766 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1903 ' ' ALA . . . . . . . . . . . . . . . -72.51 -35.0 68.02 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.896 0.379 . . . . 0.0 111.025 -179.592 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1904 ' ' ALA . . . . . . . . . . . . . . . -72.33 -35.69 68.65 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.078 0.466 . . . . 0.0 110.56 -176.64 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1905 ' ' VAL . . . . . . . . . . . . . 26.4 m -84.18 -7.45 10.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.309 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1906 ' ' ALA . . . . . . . . . . . . . . . -100.38 -13.11 18.9 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.074 0.464 . . . . 0.0 110.593 177.32 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1907 ' ' ALA . . . . . . . . . . . . . . . -79.23 113.22 17.19 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.916 -0.583 . . . . 0.0 111.027 -179.045 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1908 ' ' GLU . . . . . 0.494 ' HG2' ' HB3' ' A' 1847 ' ' GLU . 1.4 pt-20 -65.41 -21.14 66.63 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.198 176.77 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1909 ' ' ASN . . . . . 0.469 ' HB3' HD12 ' A' 1912 ' ' ILE . 27.6 t-20 -93.98 143.43 26.36 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.866 -177.319 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1910 ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -61.83 -53.78 51.24 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.452 179.423 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1911 ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 -63.28 -44.96 93.58 Favored 'General case' 0 N--CA 1.447 -0.581 0 CA-C-N 115.646 -0.707 . . . . 0.0 111.958 -172.56 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1912 ' ' ILE . . . . . 0.583 ' O ' HG13 ' A' 1916 ' ' ILE . 60.2 mt -52.25 -54.45 14.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 123.081 0.238 . . . . 0.0 110.75 -177.888 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1913 ' ' GLY . . . . . . . . . . . . . . . -65.43 -32.33 83.16 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.374 -179.834 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1914 ' ' ALA . . . . . 0.405 ' O ' ' HB2' ' A' 1918 ' ' HIS . . . -74.78 -37.3 62.44 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.85 0.357 . . . . 0.0 111.072 -177.276 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1915 ' ' HIS . . . . . 0.55 ' O ' ' HG2' ' A' 1919 ' ' ARG . 87.2 m-70 -76.74 -38.57 53.98 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.309 -177.781 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1916 ' ' ILE . . . . . 0.583 HG13 ' O ' ' A' 1912 ' ' ILE . 97.5 mt -53.04 -58.14 3.4 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.287 0 CA-C-O 120.932 0.396 . . . . 0.0 110.863 179.331 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1917 ' ' LYS . . . . . . . . . . . . . 53.1 mtmt -67.48 -24.85 65.64 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.361 -178.406 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1918 ' ' HIS . . . . . 0.405 ' HB2' ' O ' ' A' 1914 ' ' ALA . 41.9 t-80 -72.09 -46.79 55.42 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.256 179.536 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1919 ' ' ARG . . . . . 0.55 ' HG2' ' O ' ' A' 1915 ' ' HIS . 27.5 mmt180 -71.83 -39.22 69.92 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.655 -174.267 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1920 ' ' VAL . . . . . . . . . . . . . 34.9 m -64.75 -30.0 49.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 C-N-CA 120.742 -0.383 . . . . 0.0 110.395 178.561 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1921 ' ' GLN . . . . . . . . . . . . . 49.1 tt0 -64.75 -45.37 86.7 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.213 0.53 . . . . 0.0 110.12 175.022 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1922 ' ' GLU . . . . . 0.544 ' HB3' ' HD2' ' A' 1960 ' ' LYS . 33.6 mt-10 -66.25 -33.42 75.7 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.379 -0.828 . . . . 0.0 110.893 179.515 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1923 ' ' LEU . . . . . 0.4 HD23 ' HA ' ' A' 1923 ' ' LEU . 43.5 mt -72.11 -32.72 67.23 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.231 177.727 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1924 ' ' GLY . . . . . . . . . . . . . . . -61.18 -47.1 92.81 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.962 -0.637 . . . . 0.0 112.633 -178.789 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1925 ' ' HIS . . . . . . . . . . . . . 35.6 m80 -74.64 -23.87 58.74 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.996 0.427 . . . . 0.0 110.34 -178.751 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1926 ' ' GLY . . . . . . . . . . . . . . . -72.6 -42.27 48.13 Favored Glycine 0 N--CA 1.447 -0.631 0 C-N-CA 120.51 -0.852 . . . . 0.0 111.197 174.491 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1927 ' ' CYS . . . . . . . . . . . . . 44.4 t -61.43 -48.28 81.88 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.55 -0.325 . . . . 0.0 110.924 178.102 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1928 ' ' SER . . . . . . . . . . . . . 13.1 p -61.95 -39.8 93.34 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.824 0.345 . . . . 0.0 111.267 -178.06 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1929 ' ' ALA . . . . . . . . . . . . . . . -67.66 -44.51 77.69 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.914 0.388 . . . . 0.0 110.722 177.835 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1930 ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -63.27 -52.65 61.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.735 -177.625 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1931 ' ' VAL . . . . . . . . . . . . . 32.6 m -62.62 -27.81 43.61 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.211 0 CA-C-O 120.735 0.302 . . . . 0.0 111.619 -175.873 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1932 ' ' THR . . . . . . . . . . . . . 97.3 m -67.77 -44.83 76.53 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-O 120.859 0.361 . . . . 0.0 110.466 176.48 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1933 ' ' LYS . . . . . 0.405 ' HD3' ' HA ' ' A' 1933 ' ' LYS . 34.0 mmtp -75.73 -29.56 58.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.887 179.612 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1934 ' ' ALA . . . . . . . . . . . . . . . -59.46 -47.53 85.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.839 0.352 . . . . 0.0 110.1 174.47 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1935 ' ' GLY . . . . . . . . . . . . . . . -66.82 -33.31 83.75 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.849 -0.691 . . . . 0.0 111.922 176.605 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1936 ' ' ALA . . . . . . . . . . . . . . . -64.36 -52.93 55.84 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.549 0.214 . . . . 0.0 110.558 178.225 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1937 ' ' LEU . . . . . 0.58 ' HB2' HG22 ' A' 1946 ' ' THR . 35.4 tp -64.36 -31.47 72.69 Favored 'General case' 0 CA--C 1.514 -0.436 0 CA-C-O 121.067 0.461 . . . . 0.0 110.448 179.121 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1938 ' ' GLN . . . . . . . . . . . . . 25.8 tt0 -56.86 -38.87 73.33 Favored 'General case' 0 N--CA 1.447 -0.609 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.01 176.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1939 ' ' CYS . . . . . . . . . . . . . 23.6 t -87.24 -5.67 58.86 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.549 -0.75 . . . . 0.0 111.347 179.789 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1940 ' ' SER . . . . . . . . . . . . . 25.1 p -141.45 72.95 25.44 Favored Pre-proline 0 C--N 1.328 -0.368 0 CA-C-O 121.005 0.431 . . . . 0.0 111.698 -176.122 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1941 ' ' PRO . . . . . 0.705 ' HB3' ' HG3' ' A' 1879 ' ' PRO . 25.0 Cg_exo -64.8 -25.59 60.56 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.655 2.236 . . . . 0.0 112.717 -177.304 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1942 ' ' SER . . . . . . . . . . . . . 33.8 p -90.49 4.62 50.57 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.737 -176.363 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1943 ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -100.29 103.43 14.86 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.045 0.45 . . . . 0.0 111.08 179.497 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1944 ' ' VAL . . . . . 0.486 ' O ' ' HG2' ' A' 1948 ' ' LYS . 12.0 p -68.33 -32.31 55.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.524 179.428 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1945 ' ' TYR . . . . . 0.471 ' O ' ' HG3' ' A' 1949 ' ' GLU . 27.6 m-85 -59.24 -46.9 87.26 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.277 -177.886 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1946 ' ' THR . . . . . 0.58 HG22 ' HB2' ' A' 1937 ' ' LEU . 34.7 m -65.48 -31.9 73.23 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 114.815 -1.084 . . . . 0.0 110.897 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1947 ' ' LYS . . . . . 0.426 ' HG3' ' HB2' ' A' 1875 ' ' SER . 28.1 ttpt -71.76 -43.33 65.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.19 177.922 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1948 ' ' LYS . . . . . 0.55 ' HE2' ' HA ' ' A' 1948 ' ' LYS . 9.8 mmpt? -53.58 -51.06 64.2 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.575 -179.201 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1949 ' ' GLU . . . . . 0.471 ' HG3' ' O ' ' A' 1945 ' ' TYR . 38.7 mt-10 -55.38 -43.06 74.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.509 -0.769 . . . . 0.0 110.462 -178.74 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1950 ' ' LEU . . . . . 0.612 HD11 HD22 ' A' 1882 ' ' LEU . 7.4 tt -63.13 -47.37 83.04 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.778 -178.006 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1951 ' ' ILE . . . . . 0.954 HG13 ' HB ' ' A' 1872 ' ' VAL . 1.7 mp -58.33 -47.31 88.11 Favored 'Isoleucine or valine' 0 C--O 1.235 0.341 0 CA-C-O 120.978 0.418 . . . . 0.0 110.25 178.397 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1952 ' ' GLU . . . . . 0.452 ' HG2' ' O ' ' A' 1948 ' ' LYS . 72.0 mm-40 -65.55 -31.31 72.29 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.847 -179.804 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1953 ' ' CYS . . . . . 0.632 ' O ' ' HG2' ' A' 1956 ' ' ARG . 60.8 m -69.82 -39.64 76.39 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.733 179.568 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1954 ' ' ALA . . . . . 0.418 ' HB3' ' CG1' ' A' 1872 ' ' VAL . . . -70.95 -42.54 69.65 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.709 0.29 . . . . 0.0 111.543 -177.424 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1955 ' ' ARG . . . . . 0.449 ' O ' ' HG3' ' A' 1959 ' ' GLU . 2.7 ptp180 -69.82 -24.86 63.53 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.698 0.285 . . . . 0.0 111.534 -178.523 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1956 ' ' ARG . . . . . 0.632 ' HG2' ' O ' ' A' 1953 ' ' CYS . 10.0 ptm180 -81.47 -24.52 36.72 Favored 'General case' 0 C--N 1.324 -0.519 0 C-N-CA 120.413 -0.515 . . . . 0.0 110.453 -179.835 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1957 ' ' VAL . . . . . 0.404 ' O ' HG13 ' A' 1961 ' ' VAL . 16.4 m -89.2 -28.31 5.21 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.147 0 C-N-CA 120.665 -0.414 . . . . 0.0 111.019 176.206 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1958 ' ' SER . . . . . 0.576 ' O ' HG22 ' A' 1961 ' ' VAL . 11.9 p -62.6 -31.26 72.05 Favored 'General case' 0 C--O 1.231 0.096 0 CA-C-O 121.04 0.447 . . . . 0.0 110.584 178.385 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1959 ' ' GLU . . . . . 0.449 ' HG3' ' O ' ' A' 1955 ' ' ARG . 47.6 mt-10 -61.14 -42.42 98.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.639 0.733 . . . . 0.0 109.503 172.903 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1960 ' ' LYS . . . . . 0.544 ' HD2' ' HB3' ' A' 1922 ' ' GLU . 54.6 mtmt -77.0 -26.82 54.31 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.207 -0.906 . . . . 0.0 112.12 -172.341 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1961 ' ' VAL . . . . . 0.807 HG21 ' HB2' ' A' 1865 ' ' ALA . 4.3 m -68.79 -33.74 61.01 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.201 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 174.051 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1962 ' ' SER . . . . . 0.645 ' HA ' HD12 ' A' 1965 ' ' LEU . 19.2 t -70.67 -24.71 62.74 Favored 'General case' 0 N--CA 1.451 -0.383 0 CA-C-N 115.652 -0.703 . . . . 0.0 109.791 178.844 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1963 ' ' HIS . . . . . 0.419 ' ND1' ' HA ' ' A' 1960 ' ' LYS . 46.2 m170 -73.06 -28.47 62.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.107 178.714 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1964 ' ' VAL . . . . . 0.47 HG11 HD11 ' A' 1896 ' ' LEU . 89.2 t -66.99 -45.22 87.6 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.172 0 N-CA-C 108.906 -0.775 . . . . 0.0 108.906 172.314 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1965 ' ' LEU . . . . . 0.645 HD12 ' HA ' ' A' 1962 ' ' SER . 52.3 mt -53.95 -52.19 61.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.036 -0.984 . . . . 0.0 110.724 178.685 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1966 ' ' ALA . . . . . . . . . . . . . . . -61.71 -46.47 89.51 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.85 -0.614 . . . . 0.0 111.724 -178.069 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1967 ' ' ALA . . . . . . . . . . . . . . . -59.7 -42.57 93.33 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.022 0.439 . . . . 0.0 111.411 -177.561 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1968 ' ' LEU . . . . . 0.688 HD11 ' HG3' ' A' 1857 ' ' MET . 60.9 mt -69.04 -39.86 78.92 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.175 -178.043 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1969 ' ' GLN . . . . . . . . . . . . . 75.7 mt-30 -75.71 -4.28 39.47 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.442 -176.843 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1970 ' ' ALA . . . . . . . . . . . . . . . -79.97 4.57 16.5 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.17 179.616 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1971 ' ' GLY . . . . . . . . . . . . . . . -54.92 -48.58 66.19 Favored Glycine 0 C--N 1.335 0.511 0 N-CA-C 111.592 -0.603 . . . . 0.0 111.592 175.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1972 ' ' ASN . . . . . . . . . . . . . 48.1 m-80 -105.27 81.92 1.77 Allowed 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 109.041 -0.726 . . . . 0.0 109.041 173.047 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1973 ' ' ARG . . . . . . . . . . . . . 68.9 ttt180 . . . . . 0 C--O 1.25 1.111 0 CA-C-O 118.334 -0.841 . . . . 0.0 110.666 -172.66 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A 1837 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.699 0 N-CA-C 111.579 -0.608 . . . . 0.0 111.579 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A 1838 ' ' ILE . . . . . . . . . . . . . 29.5 mt -79.86 -62.33 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 N-CA-C 109.789 -0.449 . . . . 0.0 109.789 178.054 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1839 ' ' ASP . . . . . . . . . . . . . 3.0 m-20 54.44 99.09 0.04 OUTLIER Pre-proline 0 N--CA 1.466 0.37 0 CA-C-N 114.784 -1.098 . . . . 0.0 112.863 175.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1840 ' ' PRO . . . . . . . . . . . . . 71.5 Cg_endo -83.76 23.29 0.84 Allowed 'Trans proline' 0 N--CA 1.458 -0.583 0 C-N-CA 123.027 2.484 . . . . 0.0 111.982 178.469 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1841 ' ' PHE . . . . . . . . . . . . . 92.2 m-85 -94.37 -12.89 27.01 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.627 -178.667 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1842 ' ' THR . . . . . . . . . . . . . 9.6 p -79.57 99.16 7.18 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.259 0.552 . . . . 0.0 111.642 -177.642 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1843 ' ' MET . . . . . . . . . . . . . 49.9 ttm -166.48 86.26 0.31 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.234 -0.894 . . . . 0.0 109.287 175.731 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1844 ' ' GLY . . . . . . . . . . . . . . . -74.67 -44.26 26.49 Favored Glycine 0 N--CA 1.445 -0.721 0 C-N-CA 120.9 -0.667 . . . . 0.0 112.085 -178.657 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1845 ' ' ASP . . . . . 0.435 ' HA ' ' HD3' ' A' 1846 ' ' PRO . 50.7 m-20 -117.03 112.56 39.99 Favored Pre-proline 0 C--N 1.323 -0.554 0 CA-C-O 120.76 0.314 . . . . 0.0 110.504 179.422 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1846 ' ' PRO . . . . . 0.785 ' O ' ' HA ' ' A' 1908 ' ' GLU . 5.0 Cg_exo -80.31 44.21 1.68 Allowed 'Trans proline' 0 N--CA 1.46 -0.478 0 C-N-CA 123.308 2.672 . . . . 0.0 110.815 174.796 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1847 ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -179.57 177.67 0.71 Allowed 'General case' 0 N--CA 1.452 -0.373 0 N-CA-C 108.766 -0.827 . . . . 0.0 108.766 -177.441 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1848 ' ' GLY . . . . . . . . . . . . . . . 126.82 -125.3 5.33 Favored Glycine 0 N--CA 1.449 -0.469 0 C-N-CA 120.129 -1.034 . . . . 0.0 113.381 173.689 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1849 ' ' SER . . . . . . . . . . . . . 19.5 m -87.14 28.06 0.97 Allowed 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.942 0.401 . . . . 0.0 111.258 -173.244 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1850 ' ' PHE . . . . . 0.424 ' HA ' ' HD2' ' A' 1853 ' ' TYR . 77.1 t80 -54.37 -28.98 46.89 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.395 176.066 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1851 ' ' VAL . . . . . . . . . . . . . 18.8 m -59.1 -32.27 47.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 115.229 -0.896 . . . . 0.0 112.391 -177.77 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1852 ' ' ASP . . . . . . . . . . . . . 27.8 t70 -74.47 -47.59 32.48 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.763 0.316 . . . . 0.0 110.534 -177.667 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1853 ' ' TYR . . . . . 0.491 ' O ' ' HG2' ' A' 1857 ' ' MET . 27.3 m-85 -63.04 -44.38 96.03 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 109.185 -0.672 . . . . 0.0 109.185 177.695 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1854 ' ' GLN . . . . . 0.803 ' HG3' ' HB3' ' A' 1968 ' ' LEU . 24.4 tt0 -50.21 -59.97 3.43 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 115.2 -0.909 . . . . 0.0 110.66 175.757 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1855 ' ' THR . . . . . 0.776 ' O ' ' HG2' ' A' 1859 ' ' ARG . 27.7 m -58.73 -36.25 74.0 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.996 -178.46 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1856 ' ' THR . . . . . . . . . . . . . 1.3 m -63.43 -58.2 7.81 Favored 'General case' 0 N--CA 1.441 -0.922 0 N-CA-C 112.24 0.459 . . . . 0.0 112.24 -178.284 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1857 ' ' MET . . . . . 0.491 ' HG2' ' O ' ' A' 1853 ' ' TYR . 6.1 ptm -77.13 -18.06 58.18 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 111.94 0.348 . . . . 0.0 111.94 -171.136 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1858 ' ' VAL . . . . . 0.504 ' O ' ' HG3' ' A' 1862 ' ' LYS . 26.3 m -72.25 -31.7 40.13 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.112 0 C-N-CA 119.657 -0.817 . . . . 0.0 109.662 171.697 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1859 ' ' ARG . . . . . 0.776 ' HG2' ' O ' ' A' 1855 ' ' THR . 17.5 mmt180 -70.96 -36.47 72.57 Favored 'General case' 0 CA--C 1.52 -0.188 0 N-CA-C 109.211 -0.662 . . . . 0.0 109.211 174.636 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1860 ' ' THR . . . . . 0.483 HG21 ' HB2' ' A' 1896 ' ' LEU . 9.9 m -61.5 -45.04 95.88 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.334 -0.848 . . . . 0.0 110.42 177.317 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1861 ' ' ALA . . . . . 0.46 ' HB1' ' HB ' ' A' 1961 ' ' VAL . . . -59.52 -40.88 88.6 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.761 178.087 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1862 ' ' LYS . . . . . 0.504 ' HG3' ' O ' ' A' 1858 ' ' VAL . 56.9 mttm -64.73 -43.12 94.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.497 177.669 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1863 ' ' ALA . . . . . . . . . . . . . . . -61.56 -41.87 98.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.47 178.672 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1864 ' ' ILE . . . . . 0.636 ' O ' HG13 ' A' 1868 ' ' VAL . 68.5 mt -63.91 -46.07 95.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.469 176.135 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1865 ' ' ALA . . . . . 0.838 ' HB2' HG21 ' A' 1961 ' ' VAL . . . -58.66 -41.0 85.09 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 112.179 0.437 . . . . 0.0 112.179 -177.735 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1866 ' ' VAL . . . . . . . . . . . . . 12.1 p -72.78 -32.68 41.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 C-N-CA 120.358 -0.537 . . . . 0.0 110.234 179.588 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1867 ' ' THR . . . . . 0.68 ' O ' ' HG3' ' A' 1871 ' ' MET . 86.0 m -63.28 -54.33 38.97 Favored 'General case' 0 C--N 1.332 -0.19 0 C-N-CA 121.31 -0.156 . . . . 0.0 110.733 177.118 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1868 ' ' VAL . . . . . 0.636 HG13 ' O ' ' A' 1864 ' ' ILE . 3.3 m -58.05 -32.65 44.47 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.221 0 CA-C-O 121.662 0.744 . . . . 0.0 110.39 -177.769 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1869 ' ' GLN . . . . . . . . . . . . . 6.9 tp-100 -78.21 -33.83 49.7 Favored 'General case' 0 N--CA 1.423 -1.786 0 CA-C-N 115.0 -1.0 . . . . 0.0 110.39 -178.024 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1870 ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 -65.22 -40.86 94.68 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 110.024 -0.361 . . . . 0.0 110.024 171.672 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1871 ' ' MET . . . . . 0.68 ' HG3' ' O ' ' A' 1867 ' ' THR . 52.3 mtp -58.02 -42.45 85.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.863 -178.889 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1872 ' ' VAL . . . . . 0.766 ' HB ' HG13 ' A' 1951 ' ' ILE . 15.5 m -77.14 -28.47 16.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.437 179.888 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1873 ' ' THR . . . . . . . . . . . . . 87.2 m -73.49 -44.85 56.92 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.045 0.45 . . . . 0.0 110.766 177.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1874 ' ' LYS . . . . . . . . . . . . . 69.7 mmtt -66.91 -38.35 86.05 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.679 -177.897 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1875 ' ' SER . . . . . 0.56 ' HB3' HD11 ' A' 1882 ' ' LEU . 4.4 p -62.73 -9.96 11.06 Favored 'General case' 0 CA--C 1.534 0.329 0 N-CA-C 113.153 0.797 . . . . 0.0 113.153 -172.32 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1876 ' ' ASN . . . . . . . . . . . . . 60.5 m-80 -69.79 -29.75 67.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.796 0.332 . . . . 0.0 110.54 177.732 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1877 ' ' THR . . . . . . . . . . . . . 25.1 p -133.28 -32.76 1.16 Allowed 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 112.391 0.515 . . . . 0.0 112.391 -177.11 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1878 ' ' SER . . . . . . . . . . . . . 54.8 m -124.02 109.25 29.77 Favored Pre-proline 0 C--N 1.325 -0.471 0 CA-C-O 120.785 0.326 . . . . 0.0 111.693 -170.716 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1879 ' ' PRO . . . . . 0.918 ' HA ' HD12 ' A' 1882 ' ' LEU . 34.0 Cg_endo -91.83 -14.35 1.55 Allowed 'Trans proline' 0 N--CA 1.443 -1.466 0 C-N-CA 122.183 1.922 . . . . 0.0 112.64 174.678 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1880 ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -77.03 -33.02 57.43 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.884 0.374 . . . . 0.0 110.468 177.36 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1881 ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -61.73 -15.37 40.15 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.842 177.105 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1882 ' ' LEU . . . . . 0.918 HD12 ' HA ' ' A' 1879 ' ' PRO . 0.6 OUTLIER -81.85 -7.51 59.61 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.309 -0.859 . . . . 0.0 112.018 -175.038 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A 1883 ' ' GLY . . . . . . . . . . . . . . . -71.7 -60.34 4.34 Favored Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 120.722 -0.752 . . . . 0.0 111.683 176.09 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1884 ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -55.67 -36.87 95.62 Favored 'Trans proline' 0 C--N 1.347 0.473 0 C-N-CA 122.612 2.208 . . . . 0.0 112.177 177.169 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1885 ' ' LEU . . . . . 0.509 ' HB3' ' HG2' ' A' 1871 ' ' MET . 94.8 mt -67.68 -42.57 81.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.636 -178.077 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1886 ' ' ALA . . . . . . . . . . . . . . . -62.22 -46.67 87.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.052 0.454 . . . . 0.0 110.185 177.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1887 ' ' ASN . . . . . . . . . . . . . 4.5 m-20 -62.2 -34.77 77.09 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.584 -0.734 . . . . 0.0 110.69 177.475 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1888 ' ' GLN . . . . . . . . . . . . . 17.8 tp60 -70.48 -48.95 53.31 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.841 -177.634 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1889 ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -56.98 -47.17 81.4 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.303 -0.629 . . . . 0.0 109.303 177.915 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1890 ' ' THR . . . . . . . . . . . . . 52.8 m -59.46 -43.29 93.22 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.106 -0.952 . . . . 0.0 111.13 179.212 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1891 ' ' SER . . . . . . . . . . . . . 32.6 t -65.39 -47.63 75.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.488 -0.324 . . . . 0.0 111.19 -178.516 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1892 ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -66.58 -36.21 82.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.594 -0.275 . . . . 0.0 111.179 -177.518 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1893 ' ' TYR . . . . . . . . . . . . . 36.4 t80 -59.29 -40.75 87.12 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.625 0.25 . . . . 0.0 110.744 177.011 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1894 ' ' GLY . . . . . . . . . . . . . . . -58.33 -37.04 86.24 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.789 -0.719 . . . . 0.0 111.729 178.219 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1895 ' ' ARG . . . . . . . . . . . . . 13.4 ttp180 -70.28 -46.72 63.76 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.922 0.391 . . . . 0.0 110.174 177.669 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1896 ' ' LEU . . . . . 0.485 HD12 ' HB2' ' A' 1857 ' ' MET . 47.5 tp -56.77 -50.66 71.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.696 -0.684 . . . . 0.0 111.504 179.603 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1897 ' ' ALA . . . . . . . . . . . . . . . -64.47 -24.22 67.54 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.82 -176.281 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1898 ' ' SER . . . . . . . . . . . . . 54.1 m -81.34 -41.81 21.48 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.794 0.33 . . . . 0.0 110.438 -175.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1899 ' ' GLN . . . . . 0.429 ' HA ' ' OE1' ' A' 1899 ' ' GLN . 16.9 mm-40 -69.21 -12.47 61.7 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.887 -179.561 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1900 ' ' ALA . . . . . 0.402 ' HA ' ' HE1' ' A' 1857 ' ' MET . . . -66.68 -27.21 67.47 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.219 177.842 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1901 ' ' LYS . . . . . 0.492 ' HB3' ' HD3' ' A' 1902 ' ' PRO . 1.7 tmtp? -75.58 -58.39 1.42 Allowed Pre-proline 0 CA--C 1.54 0.584 0 C-N-CA 120.818 -0.353 . . . . 0.0 111.029 -177.471 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1902 ' ' PRO . . . . . 0.492 ' HD3' ' HB3' ' A' 1901 ' ' LYS . 36.6 Cg_endo -66.07 -23.47 53.48 Favored 'Trans proline' 0 C--N 1.356 0.932 0 C-N-CA 122.043 1.829 . . . . 0.0 112.762 -178.658 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1903 ' ' ALA . . . . . . . . . . . . . . . -76.05 -31.84 59.01 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.975 0.417 . . . . 0.0 110.596 177.074 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1904 ' ' ALA . . . . . . . . . . . . . . . -71.77 -31.04 66.21 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.746 -176.348 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1905 ' ' VAL . . . . . . . . . . . . . 35.2 m -92.21 2.49 8.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 115.802 -0.635 . . . . 0.0 111.388 -178.57 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1906 ' ' ALA . . . . . . . . . . . . . . . -119.26 -2.41 10.67 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.847 178.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1907 ' ' ALA . . . . . . . . . . . . . . . -75.0 136.73 41.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.956 -178.378 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1908 ' ' GLU . . . . . 0.785 ' HA ' ' O ' ' A' 1846 ' ' PRO . 1.8 mp0 -60.9 -26.05 67.17 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.904 -0.589 . . . . 0.0 112.382 -177.894 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1909 ' ' ASN . . . . . 0.49 ' OD1' ' HG3' ' A' 1911 ' ' GLU . 14.1 t-20 -137.14 151.5 48.9 Favored 'General case' 0 C--N 1.323 -0.549 0 C-N-CA 120.706 -0.398 . . . . 0.0 111.412 -172.855 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1910 ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -47.77 -53.82 14.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.241 -0.89 . . . . 0.0 111.035 173.316 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1911 ' ' GLU . . . . . 0.49 ' HG3' ' OD1' ' A' 1909 ' ' ASN . 28.4 mt-10 -54.82 -56.67 16.9 Favored 'General case' 0 CA--C 1.515 -0.377 0 CA-C-O 121.296 0.57 . . . . 0.0 111.098 -177.371 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1912 ' ' ILE . . . . . 0.484 HD12 ' CB ' ' A' 1909 ' ' ASN . 35.6 mt -53.2 -39.58 34.93 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.739 0 CA-C-N 114.575 -1.193 . . . . 0.0 111.282 -177.137 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1913 ' ' GLY . . . . . 0.418 ' HA2' HD12 ' A' 1916 ' ' ILE . . . -81.32 -29.97 38.84 Favored Glycine 0 N--CA 1.448 -0.52 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.767 179.04 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1914 ' ' ALA . . . . . . . . . . . . . . . -74.52 -38.92 62.67 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.68 0.276 . . . . 0.0 111.039 -177.28 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1915 ' ' HIS . . . . . 0.49 ' O ' ' HG2' ' A' 1919 ' ' ARG . 87.0 m-70 -62.39 -31.7 72.42 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.637 -179.161 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1916 ' ' ILE . . . . . 0.434 HG13 ' O ' ' A' 1912 ' ' ILE . 82.5 mt -56.06 -58.38 5.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.14 178.688 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1917 ' ' LYS . . . . . 0.411 ' HE2' ' HB2' ' A' 1917 ' ' LYS . 3.8 mppt? -65.1 -26.82 68.38 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-O 120.947 0.404 . . . . 0.0 111.326 -177.131 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1918 ' ' HIS . . . . . 0.418 ' O ' ' HG2' ' A' 1922 ' ' GLU . 0.2 OUTLIER -72.42 -41.41 66.23 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.752 0.31 . . . . 0.0 110.909 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A 1919 ' ' ARG . . . . . 0.49 ' HG2' ' O ' ' A' 1915 ' ' HIS . 23.5 mmt180 -81.5 -26.41 35.18 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 112.126 0.417 . . . . 0.0 112.126 -173.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1920 ' ' VAL . . . . . . . . . . . . . 34.9 m -72.42 -31.85 39.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 C-N-CA 120.227 -0.589 . . . . 0.0 110.184 175.602 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1921 ' ' GLN . . . . . . . . . . . . . 23.6 tp60 -67.03 -29.72 69.61 Favored 'General case' 0 C--O 1.236 0.373 0 CA-C-O 121.281 0.563 . . . . 0.0 109.939 176.142 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1922 ' ' GLU . . . . . 0.734 ' HB3' ' HD2' ' A' 1960 ' ' LYS . 11.6 mm-40 -59.95 -53.48 57.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.536 -0.757 . . . . 0.0 110.669 176.694 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1923 ' ' LEU . . . . . . . . . . . . . 49.0 mt -67.12 -24.0 65.88 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.754 178.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1924 ' ' GLY . . . . . . . . . . . . . . . -60.53 -40.54 97.92 Favored Glycine 0 N--CA 1.453 -0.209 0 C-N-CA 121.07 -0.585 . . . . 0.0 112.212 175.216 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1925 ' ' HIS . . . . . . . . . . . . . 39.4 m80 -76.11 -33.3 59.46 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.176 0.512 . . . . 0.0 109.936 177.588 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1926 ' ' GLY . . . . . 0.408 ' HA3' HG12 ' A' 1957 ' ' VAL . . . -72.38 -52.7 9.96 Favored Glycine 0 N--CA 1.447 -0.627 0 CA-C-N 115.522 -0.763 . . . . 0.0 113.196 -176.735 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1927 ' ' CYS . . . . . . . . . . . . . 24.1 p -60.15 -44.66 94.79 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.861 0.331 . . . . 0.0 111.117 -176.467 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1928 ' ' SER . . . . . . . . . . . . . 40.4 t -58.37 -42.34 86.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.635 -179.719 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1929 ' ' ALA . . . . . . . . . . . . . . . -70.55 -43.77 68.85 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.915 0.388 . . . . 0.0 110.803 178.377 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1930 ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -63.34 -48.37 78.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.207 -177.022 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1931 ' ' VAL . . . . . . . . . . . . . 32.5 m -64.86 -28.86 45.78 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 CA-C-O 120.755 0.312 . . . . 0.0 110.949 -177.746 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1932 ' ' THR . . . . . . . . . . . . . 58.7 m -68.93 -40.84 78.78 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.192 176.178 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1933 ' ' LYS . . . . . . . . . . . . . 72.5 mmtt -71.59 -35.66 70.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.339 178.324 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1934 ' ' ALA . . . . . . . . . . . . . . . -61.62 -48.33 81.36 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.381 175.309 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1935 ' ' GLY . . . . . . . . . . . . . . . -67.77 -32.63 78.32 Favored Glycine 0 N--CA 1.449 -0.47 0 C-N-CA 121.058 -0.592 . . . . 0.0 112.269 178.395 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1936 ' ' ALA . . . . . . . . . . . . . . . -67.79 -47.13 69.98 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.605 0.24 . . . . 0.0 110.793 178.045 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1937 ' ' LEU . . . . . 0.425 ' HB2' HG22 ' A' 1946 ' ' THR . 20.3 tp -69.92 -29.14 66.23 Favored 'General case' 0 CA--C 1.514 -0.413 0 CA-C-O 121.171 0.51 . . . . 0.0 110.531 179.662 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1938 ' ' GLN . . . . . 0.554 ' HA ' ' HB2' ' A' 1879 ' ' PRO . 36.8 tt0 -68.8 -28.62 66.93 Favored 'General case' 0 N--CA 1.443 -0.813 0 N-CA-C 109.558 -0.534 . . . . 0.0 109.558 177.591 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1939 ' ' CYS . . . . . . . . . . . . . 41.9 t -80.8 -48.27 12.7 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.661 -0.699 . . . . 0.0 109.954 175.491 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1940 ' ' SER . . . . . . . . . . . . . 24.5 m -112.9 90.63 15.92 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.098 176.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1941 ' ' PRO . . . . . 0.419 ' HB3' ' HG3' ' A' 1879 ' ' PRO . 94.2 Cg_endo -80.57 -8.13 13.64 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.568 2.179 . . . . 0.0 113.614 -172.543 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1942 ' ' SER . . . . . . . . . . . . . 9.7 t -106.96 -6.64 17.4 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.748 0.308 . . . . 0.0 110.84 -176.12 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1943 ' ' ASP . . . . . . . . . . . . . 18.1 t70 -81.78 107.48 14.55 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.886 0.374 . . . . 0.0 110.149 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1944 ' ' VAL . . . . . . . . . . . . . 11.1 p -67.59 -33.62 63.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.09 -175.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1945 ' ' TYR . . . . . . . . . . . . . 95.5 m-85 -60.43 -43.7 96.52 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.935 0.398 . . . . 0.0 110.311 -178.293 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1946 ' ' THR . . . . . 0.425 HG22 ' HB2' ' A' 1937 ' ' LEU . 63.7 m -60.17 -41.06 92.04 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.663 176.191 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1947 ' ' LYS . . . . . . . . . . . . . 18.1 ttpt -63.33 -44.66 94.25 Favored 'General case' 0 N--CA 1.455 -0.196 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.458 -179.132 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1948 ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -60.94 -41.89 97.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.507 -0.315 . . . . 0.0 110.442 -176.453 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1949 ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -60.77 -28.71 68.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.828 178.779 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1950 ' ' LEU . . . . . 0.48 HD11 HD22 ' A' 1882 ' ' LEU . 6.4 tt -74.78 -54.91 6.46 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.113 179.497 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1951 ' ' ILE . . . . . 0.766 HG13 ' HB ' ' A' 1872 ' ' VAL . 2.1 mp -61.76 -48.08 90.33 Favored 'Isoleucine or valine' 0 C--O 1.234 0.285 0 CA-C-O 120.989 0.423 . . . . 0.0 111.122 -178.447 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1952 ' ' GLU . . . . . 0.588 ' O ' ' HG2' ' A' 1956 ' ' ARG . 33.5 mt-10 -68.2 -19.0 64.73 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.706 -175.401 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1953 ' ' CYS . . . . . . . . . . . . . 10.1 t -88.01 -36.55 16.95 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 121.004 -0.278 . . . . 0.0 110.754 178.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1954 ' ' ALA . . . . . 0.415 ' O ' HG22 ' A' 1957 ' ' VAL . . . -63.06 -33.58 75.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.048 0.451 . . . . 0.0 111.172 -178.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1955 ' ' ARG . . . . . . . . . . . . . 6.9 ptm180 -72.24 -22.58 61.22 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.626 177.464 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1956 ' ' ARG . . . . . 0.588 ' HG2' ' O ' ' A' 1952 ' ' GLU . 24.6 mmm180 -75.33 -38.83 59.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.198 0.523 . . . . 0.0 109.606 177.289 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1957 ' ' VAL . . . . . 0.549 ' O ' HG13 ' A' 1961 ' ' VAL . 6.6 m -79.83 -26.3 12.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.247 -177.231 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1958 ' ' SER . . . . . 0.531 ' O ' HG22 ' A' 1961 ' ' VAL . 6.8 p -64.39 -24.74 67.74 Favored 'General case' 0 CA--C 1.532 0.255 0 CA-C-O 121.182 0.515 . . . . 0.0 110.258 177.154 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1959 ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -70.03 -40.99 74.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.21 0.529 . . . . 0.0 110.211 172.204 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1960 ' ' LYS . . . . . 0.734 ' HD2' ' HB3' ' A' 1922 ' ' GLU . 72.1 mmtt -66.43 -37.76 85.9 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.859 -175.675 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1961 ' ' VAL . . . . . 0.838 HG21 ' HB2' ' A' 1865 ' ' ALA . 2.8 m -63.56 -35.11 71.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 120.938 0.399 . . . . 0.0 110.142 -179.829 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1962 ' ' SER . . . . . 0.525 ' HA ' HD12 ' A' 1965 ' ' LEU . 46.8 t -69.32 -27.55 65.47 Favored 'General case' 0 N--CA 1.452 -0.355 0 CA-C-N 115.921 -0.581 . . . . 0.0 109.937 177.804 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1963 ' ' HIS . . . . . . . . . . . . . 56.5 m170 -75.63 -31.39 59.85 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.916 -0.583 . . . . 0.0 110.101 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1964 ' ' VAL . . . . . 0.436 ' O ' HD23 ' A' 1968 ' ' LEU . 94.9 t -63.69 -43.37 98.04 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.226 0 N-CA-C 109.091 -0.707 . . . . 0.0 109.091 171.848 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1965 ' ' LEU . . . . . 0.592 ' HG ' ' O ' ' A' 1961 ' ' VAL . 63.0 mt -57.73 -47.52 82.22 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.369 -0.832 . . . . 0.0 110.456 178.498 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1966 ' ' ALA . . . . . . . . . . . . . . . -67.83 -42.61 81.19 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.757 -178.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1967 ' ' ALA . . . . . . . . . . . . . . . -60.56 -46.59 89.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.454 -177.538 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1968 ' ' LEU . . . . . 0.803 ' HB3' ' HG3' ' A' 1854 ' ' GLN . 4.2 mm? -73.26 -38.36 66.0 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.497 -177.906 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1969 ' ' GLN . . . . . . . . . . . . . 46.6 mt-30 -89.15 28.42 1.22 Allowed 'General case' 0 C--O 1.235 0.329 0 CA-C-O 121.03 0.443 . . . . 0.0 111.232 -177.028 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1970 ' ' ALA . . . . . 0.413 ' HB3' HG23 ' A' 1912 ' ' ILE . . . -75.78 167.94 20.95 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.653 178.291 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1971 ' ' GLY . . . . . . . . . . . . . . . 95.97 -149.45 19.33 Favored Glycine 0 N--CA 1.446 -0.637 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.408 178.541 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1972 ' ' ASN . . . . . . . . . . . . . 6.0 t-20 -95.51 -50.68 4.87 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.832 0.349 . . . . 0.0 110.76 -178.203 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1973 ' ' ARG . . . . . . . . . . . . . 12.2 ptm180 . . . . . 0 C--O 1.248 0.996 0 CA-C-O 118.792 -0.623 . . . . 0.0 110.969 -176.493 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A 1837 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.67 0 N-CA-C 111.46 -0.656 . . . . 0.0 111.46 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A 1838 ' ' ILE . . . . . . . . . . . . . 59.5 mt -84.93 87.86 2.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 N-CA-C 109.11 -0.7 . . . . 0.0 109.11 175.65 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1839 ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -119.47 114.67 34.4 Favored Pre-proline 0 C--N 1.32 -0.701 0 CA-C-N 115.312 -0.858 . . . . 0.0 110.24 -178.09 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1840 ' ' PRO . . . . . . . . . . . . . 31.4 Cg_exo -58.5 -47.09 20.54 Favored 'Trans proline' 0 N--CA 1.463 -0.268 0 C-N-CA 122.358 2.039 . . . . 0.0 110.324 175.438 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1841 ' ' PHE . . . . . . . . . . . . . 43.5 p90 -148.38 172.9 13.67 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 114.847 -1.07 . . . . 0.0 108.529 172.234 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1842 ' ' THR . . . . . . . . . . . . . 77.5 p -108.15 -89.16 0.47 Allowed 'General case' 0 C--N 1.314 -0.946 0 C-N-CA 120.742 -0.383 . . . . 0.0 111.605 -176.182 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1843 ' ' MET . . . . . . . . . . . . . 45.7 ttm 176.61 -32.67 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.055 -0.52 . . . . 0.0 109.759 -176.013 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1844 ' ' GLY . . . . . . . . . . . . . . . 112.07 40.58 1.15 Allowed Glycine 0 N--CA 1.447 -0.571 0 N-CA-C 110.338 -1.105 . . . . 0.0 110.338 -172.481 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1845 ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -51.22 144.57 15.0 Favored Pre-proline 0 C--O 1.233 0.198 0 C-N-CA 123.645 0.778 . . . . 0.0 111.611 -173.798 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1846 ' ' PRO . . . . . . . . . . . . . 9.3 Cg_endo -53.08 -57.45 2.02 Favored 'Trans proline' 0 C--N 1.344 0.311 0 C-N-CA 123.113 2.542 . . . . 0.0 111.949 -179.225 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1847 ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -96.87 14.85 23.89 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.324 0.583 . . . . 0.0 110.259 177.612 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1848 ' ' GLY . . . . . . . . . . . . . . . 71.4 -174.57 41.45 Favored Glycine 0 N--CA 1.45 -0.371 0 CA-C-N 115.231 -0.895 . . . . 0.0 113.198 175.006 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1849 ' ' SER . . . . . . . . . . . . . 3.1 t -89.4 38.04 0.89 Allowed 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 108.679 -0.86 . . . . 0.0 108.679 175.251 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1850 ' ' PHE . . . . . . . . . . . . . 86.5 t80 -52.62 -28.71 22.45 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 114.647 -1.16 . . . . 0.0 111.595 -176.793 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1851 ' ' VAL . . . . . . . . . . . . . 16.8 m -57.98 -29.97 37.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 N-CA-C 112.63 0.604 . . . . 0.0 112.63 -175.8 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1852 ' ' ASP . . . . . . . . . . . . . 15.7 m-20 -70.17 -51.85 27.99 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 121.042 0.449 . . . . 0.0 110.358 -179.624 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1853 ' ' TYR . . . . . . . . . . . . . 10.0 m-85 -69.81 -33.47 72.38 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.62 -0.718 . . . . 0.0 109.866 -179.039 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1854 ' ' GLN . . . . . 1.014 ' HG3' ' HB3' ' A' 1968 ' ' LEU . 54.3 tt0 -55.65 -58.25 8.6 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.225 -0.898 . . . . 0.0 110.704 176.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1855 ' ' THR . . . . . 0.498 ' O ' ' HG2' ' A' 1859 ' ' ARG . 14.5 m -60.34 -26.75 66.81 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.556 -0.747 . . . . 0.0 111.051 -178.604 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1856 ' ' THR . . . . . 0.505 HG21 ' HG3' ' A' 1899 ' ' GLN . 1.2 m -71.51 -58.58 3.37 Favored 'General case' 0 N--CA 1.444 -0.745 0 N-CA-C 112.475 0.546 . . . . 0.0 112.475 -176.57 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1857 ' ' MET . . . . . 0.699 ' SD ' HD21 ' A' 1968 ' ' LEU . 5.9 ptp -76.94 -18.77 58.04 Favored 'General case' 0 C--N 1.331 -0.229 0 C-N-CA 120.292 -0.563 . . . . 0.0 111.958 -170.27 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1858 ' ' VAL . . . . . 0.455 ' O ' ' HG3' ' A' 1862 ' ' LYS . 23.9 m -66.63 -34.27 68.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 C-N-CA 119.683 -0.807 . . . . 0.0 109.216 173.111 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1859 ' ' ARG . . . . . 0.498 ' HG2' ' O ' ' A' 1855 ' ' THR . 25.7 mmm180 -69.99 -44.65 68.95 Favored 'General case' 0 CA--C 1.52 -0.182 0 CA-C-N 116.105 -0.498 . . . . 0.0 109.938 176.563 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1860 ' ' THR . . . . . . . . . . . . . 6.3 m -61.41 -41.05 96.54 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.846 179.483 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1861 ' ' ALA . . . . . . . . . . . . . . . -63.15 -42.21 99.4 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.442 -0.345 . . . . 0.0 110.88 178.287 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1862 ' ' LYS . . . . . 0.455 ' HG3' ' O ' ' A' 1858 ' ' VAL . 59.1 mttm -62.71 -36.48 83.08 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.291 177.333 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1863 ' ' ALA . . . . . . . . . . . . . . . -66.58 -44.7 81.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.299 178.733 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1864 ' ' ILE . . . . . . . . . . . . . 77.9 mt -60.56 -42.81 92.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.147 176.159 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1865 ' ' ALA . . . . . 0.704 ' HB2' HG21 ' A' 1961 ' ' VAL . . . -60.12 -40.4 89.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.891 -179.433 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1866 ' ' VAL . . . . . 0.639 ' HA ' ' HG2' ' A' 1869 ' ' GLN . 8.3 p -78.38 -29.73 15.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 C-N-CA 120.322 -0.551 . . . . 0.0 110.528 179.551 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1867 ' ' THR . . . . . 0.636 ' O ' ' HG3' ' A' 1871 ' ' MET . 62.7 m -65.35 -51.0 63.47 Favored 'General case' 0 C--N 1.332 -0.186 0 C-N-CA 120.996 -0.281 . . . . 0.0 110.412 174.812 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1868 ' ' VAL . . . . . 0.481 ' O ' HG13 ' A' 1872 ' ' VAL . 32.6 m -63.13 -36.19 74.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.473 -0.33 . . . . 0.0 111.023 -177.839 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1869 ' ' GLN . . . . . 0.639 ' HG2' ' HA ' ' A' 1866 ' ' VAL . 2.2 pt20 -72.58 -30.57 64.5 Favored 'General case' 0 N--CA 1.452 -0.351 0 C-N-CA 120.498 -0.481 . . . . 0.0 110.116 179.457 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1870 ' ' GLU . . . . . 0.647 ' O ' ' HG2' ' A' 1874 ' ' LYS . 24.9 mt-10 -60.97 -44.09 97.83 Favored 'General case' 0 CA--C 1.515 -0.376 0 N-CA-C 109.812 -0.44 . . . . 0.0 109.812 172.662 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1871 ' ' MET . . . . . 0.636 ' HG3' ' O ' ' A' 1867 ' ' THR . 35.5 mtp -57.94 -43.23 86.2 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.961 -177.444 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1872 ' ' VAL . . . . . 0.844 ' HB ' HG13 ' A' 1951 ' ' ILE . 1.5 m -69.12 -29.07 41.62 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.317 0 CA-C-O 121.479 0.657 . . . . 0.0 110.555 179.357 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1873 ' ' THR . . . . . . . . . . . . . 91.8 m -77.81 -45.77 23.48 Favored 'General case' 0 N--CA 1.443 -0.822 0 CA-C-N 114.882 -1.054 . . . . 0.0 110.98 -178.463 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1874 ' ' LYS . . . . . 0.647 ' HG2' ' O ' ' A' 1870 ' ' GLU . 33.8 mmtp -67.48 -31.61 71.86 Favored 'General case' 0 C--O 1.219 -0.537 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.241 -176.186 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1875 ' ' SER . . . . . . . . . . . . . 46.4 m -63.38 -5.81 4.03 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 112.232 0.456 . . . . 0.0 112.232 -176.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1876 ' ' ASN . . . . . . . . . . . . . 16.7 m120 -88.43 -23.78 23.21 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.751 -0.204 . . . . 0.0 111.133 179.142 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1877 ' ' THR . . . . . . . . . . . . . 16.9 p -136.83 -43.35 0.59 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.929 0.395 . . . . 0.0 111.788 -176.873 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1878 ' ' SER . . . . . 0.419 ' HB3' ' HG2' ' A' 1881 ' ' GLU . 64.5 m -111.41 90.77 12.63 Favored Pre-proline 0 C--N 1.322 -0.611 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.974 -176.66 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1879 ' ' PRO . . . . . 0.887 ' HA ' HD12 ' A' 1882 ' ' LEU . 12.3 Cg_endo -94.02 15.45 1.27 Allowed 'Trans proline' 0 N--CA 1.447 -1.25 0 C-N-CA 122.185 1.923 . . . . 0.0 111.769 176.677 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1880 ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -111.22 -17.72 13.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.959 -0.564 . . . . 0.0 112.314 179.6 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1881 ' ' GLU . . . . . 0.419 ' HG2' ' HB3' ' A' 1878 ' ' SER . 8.6 pt-20 -90.77 -10.83 41.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.137 0.494 . . . . 0.0 111.051 179.222 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1882 ' ' LEU . . . . . 0.887 HD12 ' HA ' ' A' 1879 ' ' PRO . 0.8 OUTLIER -59.61 -30.46 68.71 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 113.02 0.748 . . . . 0.0 113.02 -177.205 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A 1883 ' ' GLY . . . . . . . . . . . . . . . -57.01 -60.78 8.41 Favored Glycine 0 CA--C 1.519 0.33 0 C-N-CA 120.898 -0.667 . . . . 0.0 112.055 176.242 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1884 ' ' PRO . . . . . . . . . . . . . 71.0 Cg_exo -49.68 -44.08 37.29 Favored 'Trans proline' 0 C--N 1.347 0.451 0 C-N-CA 122.767 2.311 . . . . 0.0 112.454 171.668 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1885 ' ' LEU . . . . . 0.567 HD11 ' HG3' ' A' 1874 ' ' LYS . 64.9 mt -60.55 -41.37 94.38 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.799 0.333 . . . . 0.0 111.318 -179.788 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1886 ' ' ALA . . . . . 0.419 ' HB1' ' HB ' ' A' 1931 ' ' VAL . . . -64.22 -41.79 96.86 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.128 0.49 . . . . 0.0 110.372 177.527 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1887 ' ' ASN . . . . . . . . . . . . . 52.0 t30 -63.73 -39.02 93.27 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.84 -0.618 . . . . 0.0 109.864 176.313 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1888 ' ' GLN . . . . . . . . . . . . . 22.9 tp60 -61.23 -49.44 77.11 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.415 -0.811 . . . . 0.0 110.796 179.103 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1889 ' ' LEU . . . . . . . . . . . . . 1.1 tt -56.2 -49.86 72.89 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 176.753 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1890 ' ' THR . . . . . . . . . . . . . 82.2 m -57.44 -37.61 73.09 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.005 -0.998 . . . . 0.0 111.533 -179.451 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1891 ' ' SER . . . . . . . . . . . . . 52.5 m -67.29 -45.38 76.74 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.552 -177.613 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1892 ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -77.2 -25.3 51.63 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 112.198 0.444 . . . . 0.0 112.198 -175.504 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1893 ' ' TYR . . . . . . . . . . . . . 47.7 t80 -60.03 -39.53 86.17 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 120.366 -0.534 . . . . 0.0 110.424 174.781 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1894 ' ' GLY . . . . . . . . . . . . . . . -60.48 -35.99 90.22 Favored Glycine 0 C--O 1.229 -0.211 0 C-N-CA 120.961 -0.638 . . . . 0.0 111.957 178.461 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1895 ' ' ARG . . . . . . . . . . . . . 10.3 ttm180 -67.99 -45.89 72.85 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.277 0.561 . . . . 0.0 109.786 177.259 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1896 ' ' LEU . . . . . 0.538 HD11 HG11 ' A' 1964 ' ' VAL . 43.0 tp -59.66 -57.08 14.48 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.118 -0.946 . . . . 0.0 111.847 -178.445 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1897 ' ' ALA . . . . . . . . . . . . . . . -64.68 -24.43 67.57 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.951 -0.568 . . . . 0.0 112.398 -172.582 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1898 ' ' SER . . . . . . . . . . . . . 67.8 m -80.22 -31.17 38.62 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.898 0.38 . . . . 0.0 110.84 -173.696 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1899 ' ' GLN . . . . . 0.795 ' HA ' HE21 ' A' 1899 ' ' GLN . 0.0 OUTLIER -79.18 -6.26 56.15 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.852 -179.474 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A 1900 ' ' ALA . . . . . . . . . . . . . . . -72.15 -30.87 65.44 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.684 177.197 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1901 ' ' LYS . . . . . 0.412 ' HB3' ' HD3' ' A' 1902 ' ' PRO . 56.5 tptt -62.43 -58.23 18.32 Favored Pre-proline 0 CA--C 1.538 0.504 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.701 -178.636 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1902 ' ' PRO . . . . . 0.412 ' HD3' ' HB3' ' A' 1901 ' ' LYS . 48.7 Cg_endo -68.75 -23.01 36.27 Favored 'Trans proline' 0 C--N 1.355 0.907 0 C-N-CA 121.852 1.701 . . . . 0.0 112.453 -178.747 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1903 ' ' ALA . . . . . . . . . . . . . . . -76.29 -39.48 54.11 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.95 179.606 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1904 ' ' ALA . . . . . . . . . . . . . . . -72.84 -31.69 64.95 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.839 -175.385 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1905 ' ' VAL . . . . . . . . . . . . . 35.2 m -82.37 -21.18 9.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.984 179.522 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1906 ' ' ALA . . . . . . . . . . . . . . . -82.28 -39.7 22.57 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.878 0.37 . . . . 0.0 110.294 177.19 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1907 ' ' ALA . . . . . . . . . . . . . . . -64.84 117.54 7.69 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.943 179.097 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1908 ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -65.4 -40.24 93.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.673 -0.694 . . . . 0.0 111.401 179.791 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1909 ' ' ASN . . . . . 0.734 ' HB3' HG13 ' A' 1912 ' ' ILE . 49.1 t-20 -74.43 129.05 37.05 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.026 -178.071 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1910 ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -47.83 -50.45 26.13 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.335 -0.848 . . . . 0.0 111.791 178.481 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1911 ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -70.06 -31.72 69.47 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.777 -0.647 . . . . 0.0 112.542 -170.121 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1912 ' ' ILE . . . . . 0.734 HG13 ' HB3' ' A' 1909 ' ' ASN . 62.1 mt -55.35 -54.5 24.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 C-N-CA 120.735 -0.386 . . . . 0.0 110.791 -177.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1913 ' ' GLY . . . . . . . . . . . . . . . -73.46 -32.84 59.32 Favored Glycine 0 N--CA 1.447 -0.572 0 C-N-CA 120.646 -0.788 . . . . 0.0 112.034 -178.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1914 ' ' ALA . . . . . . . . . . . . . . . -66.09 -41.64 90.39 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.733 0.302 . . . . 0.0 110.347 -178.709 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1915 ' ' HIS . . . . . 0.638 ' O ' ' HG2' ' A' 1919 ' ' ARG . 60.0 m-70 -60.38 -50.44 73.58 Favored 'General case' 0 CA--C 1.515 -0.378 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.652 178.79 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1916 ' ' ILE . . . . . . . . . . . . . 85.7 mt -50.93 -53.2 14.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.643 178.214 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1917 ' ' LYS . . . . . 0.514 ' HA ' HG22 ' A' 1920 ' ' VAL . 18.8 mtpp -63.32 -36.43 83.66 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.463 -0.789 . . . . 0.0 111.928 -178.212 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1918 ' ' HIS . . . . . . . . . . . . . 40.4 m-70 -69.12 -30.83 69.19 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.998 0.428 . . . . 0.0 111.499 178.375 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1919 ' ' ARG . . . . . 0.638 ' HG2' ' O ' ' A' 1915 ' ' HIS . 0.3 OUTLIER -81.84 -37.64 26.7 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.589 -0.278 . . . . 0.0 111.095 -177.658 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A 1920 ' ' VAL . . . . . 0.514 HG22 ' HA ' ' A' 1917 ' ' LYS . 30.2 m -68.45 -27.27 35.96 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.172 0 N-CA-C 109.787 -0.449 . . . . 0.0 109.787 174.621 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1921 ' ' GLN . . . . . . . . . . . . . 30.4 mt-30 -58.39 -54.07 51.12 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-O 121.211 0.529 . . . . 0.0 110.233 170.369 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1922 ' ' GLU . . . . . 1.02 ' HB3' ' HD3' ' A' 1960 ' ' LYS . 51.9 mm-40 -56.51 -40.28 74.75 Favored 'General case' 0 N--CA 1.45 -0.45 0 CA-C-N 115.372 -0.831 . . . . 0.0 111.213 -179.628 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1923 ' ' LEU . . . . . . . . . . . . . 66.9 mt -73.0 -27.71 61.94 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.092 -0.503 . . . . 0.0 111.486 179.313 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1924 ' ' GLY . . . . . . . . . . . . . . . -62.24 -57.57 16.36 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.665 -0.779 . . . . 0.0 112.31 -179.864 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1925 ' ' HIS . . . . . 0.468 ' NE2' ' HA ' ' A' 1922 ' ' GLU . 2.6 p-80 -78.46 -18.44 54.87 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.801 0.334 . . . . 0.0 111.326 178.218 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1926 ' ' GLY . . . . . . . . . . . . . . . -76.06 -48.73 9.38 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.758 179.141 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1927 ' ' CYS . . . . . . . . . . . . . 63.4 m -69.06 -32.67 72.31 Favored 'General case' 0 C--N 1.329 -0.324 0 O-C-N 122.763 -0.257 . . . . 0.0 111.155 -177.365 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1928 ' ' SER . . . . . . . . . . . . . 13.4 p -63.99 -23.64 67.41 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.903 0.382 . . . . 0.0 110.787 179.801 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1929 ' ' ALA . . . . . . . . . . . . . . . -77.39 -43.85 31.3 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.131 0.491 . . . . 0.0 110.105 176.079 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1930 ' ' LEU . . . . . 0.437 ' HG ' ' HB3' ' A' 1953 ' ' CYS . 0.5 OUTLIER -62.73 -47.88 81.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.465 -178.373 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A 1931 ' ' VAL . . . . . 0.419 ' HB ' ' HB1' ' A' 1886 ' ' ALA . 31.5 m -62.91 -30.84 50.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.505 -0.316 . . . . 0.0 111.35 -176.533 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1932 ' ' THR . . . . . . . . . . . . . 75.5 m -71.59 -42.7 67.41 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.507 -0.315 . . . . 0.0 110.602 175.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1933 ' ' LYS . . . . . . . . . . . . . 33.9 mmtp -66.99 -36.55 82.42 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.653 -0.249 . . . . 0.0 110.771 179.084 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1934 ' ' ALA . . . . . . . . . . . . . . . -59.17 -51.15 71.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.554 175.732 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1935 ' ' GLY . . . . . . . . . . . . . . . -63.33 -37.08 94.29 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.832 -0.699 . . . . 0.0 112.166 178.005 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1936 ' ' ALA . . . . . . . . . . . . . . . -65.84 -47.3 75.43 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.507 0.194 . . . . 0.0 111.157 179.846 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1937 ' ' LEU . . . . . 0.499 ' HB2' HG22 ' A' 1946 ' ' THR . 29.8 tp -67.48 -32.15 72.78 Favored 'General case' 0 CA--C 1.514 -0.422 0 CA-C-O 121.278 0.561 . . . . 0.0 110.095 178.406 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1938 ' ' GLN . . . . . 0.471 ' HG3' ' O ' ' A' 1879 ' ' PRO . 28.6 tt0 -66.69 -31.09 71.53 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.746 179.813 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1939 ' ' CYS . . . . . . . . . . . . . 60.4 m -86.43 -22.13 26.7 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.813 177.147 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1940 ' ' SER . . . . . . . . . . . . . 67.3 m -138.98 79.7 26.23 Favored Pre-proline 0 C--N 1.326 -0.418 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.746 178.876 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1941 ' ' PRO . . . . . . . . . . . . . 43.4 Cg_endo -69.62 -14.52 36.66 Favored 'Trans proline' 0 C--N 1.343 0.268 0 C-N-CA 122.578 2.185 . . . . 0.0 112.302 -177.723 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1942 ' ' SER . . . . . . . . . . . . . 14.8 m -86.26 -10.2 55.03 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.056 -178.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1943 ' ' ASP . . . . . . . . . . . . . 12.9 t70 -84.63 110.31 18.64 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 179.162 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1944 ' ' VAL . . . . . 0.552 ' O ' ' HG2' ' A' 1948 ' ' LYS . 12.0 p -75.64 -32.71 25.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.244 -174.075 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1945 ' ' TYR . . . . . . . . . . . . . 69.4 m-85 -71.99 -36.4 69.76 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.666 0.269 . . . . 0.0 111.147 -174.86 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1946 ' ' THR . . . . . 0.499 HG22 ' HB2' ' A' 1937 ' ' LEU . 95.7 m -60.62 -39.29 87.68 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.136 0.493 . . . . 0.0 109.793 172.789 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1947 ' ' LYS . . . . . . . . . . . . . 31.7 ttpt -68.34 -42.55 79.12 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.381 -0.827 . . . . 0.0 110.525 179.272 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1948 ' ' LYS . . . . . 0.552 ' HG2' ' O ' ' A' 1944 ' ' VAL . 9.0 mmpt? -53.93 -54.28 41.05 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.732 -179.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1949 ' ' GLU . . . . . . . . . . . . . 35.9 mm-40 -65.27 -25.57 67.71 Favored 'General case' 0 C--O 1.221 -0.4 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.796 -179.007 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1950 ' ' LEU . . . . . 0.64 HD11 HD22 ' A' 1882 ' ' LEU . 7.1 tt -65.48 -50.81 63.92 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 177.022 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1951 ' ' ILE . . . . . 0.844 HG13 ' HB ' ' A' 1872 ' ' VAL . 1.8 mp -61.95 -48.86 86.6 Favored 'Isoleucine or valine' 0 C--O 1.236 0.345 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.088 177.095 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1952 ' ' GLU . . . . . 0.581 ' O ' ' HG3' ' A' 1956 ' ' ARG . 30.4 mm-40 -59.39 -45.98 89.94 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.48 -179.577 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1953 ' ' CYS . . . . . 0.438 ' HA ' ' HD2' ' A' 1956 ' ' ARG . 25.4 t -61.25 -39.61 91.0 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.479 0.181 . . . . 0.0 111.061 -177.343 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1954 ' ' ALA . . . . . 0.406 ' HB1' ' HB ' ' A' 1868 ' ' VAL . . . -64.87 -41.98 95.22 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.803 0.335 . . . . 0.0 111.193 -179.302 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1955 ' ' ARG . . . . . 0.53 ' HG3' ' O ' ' A' 1952 ' ' GLU . 0.0 OUTLIER -73.69 -23.38 59.8 Favored 'General case' 0 C--N 1.325 -0.471 0 C-N-CA 120.757 -0.377 . . . . 0.0 110.382 178.278 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A 1956 ' ' ARG . . . . . 0.581 ' HG3' ' O ' ' A' 1952 ' ' GLU . 84.0 mtt180 -70.3 -46.9 63.36 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.903 0.383 . . . . 0.0 110.382 174.49 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1957 ' ' VAL . . . . . 0.451 ' O ' HG13 ' A' 1961 ' ' VAL . 21.1 m -78.19 -25.98 14.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 N-CA-C 111.865 0.32 . . . . 0.0 111.865 -176.666 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1958 ' ' SER . . . . . 0.525 ' O ' HG22 ' A' 1961 ' ' VAL . 8.3 p -66.41 -28.41 68.6 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 120.996 -0.282 . . . . 0.0 110.82 179.708 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1959 ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -65.93 -38.55 88.95 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 171.16 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1960 ' ' LYS . . . . . 1.02 ' HD3' ' HB3' ' A' 1922 ' ' GLU . 66.4 mttm -70.36 -37.1 74.55 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.17 -176.168 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1961 ' ' VAL . . . . . 0.704 HG21 ' HB2' ' A' 1865 ' ' ALA . 2.7 m -66.1 -31.59 54.35 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.192 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 175.356 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1962 ' ' SER . . . . . 0.638 ' HA ' HD12 ' A' 1965 ' ' LEU . 49.3 m -71.32 -24.85 62.2 Favored 'General case' 0 N--CA 1.451 -0.408 0 CA-C-N 115.458 -0.792 . . . . 0.0 110.138 177.85 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1963 ' ' HIS . . . . . . . . . . . . . 33.2 m170 -77.69 -31.41 52.42 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.845 -0.616 . . . . 0.0 109.988 177.797 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1964 ' ' VAL . . . . . 0.538 HG11 HD11 ' A' 1896 ' ' LEU . 72.6 t -59.26 -50.1 81.05 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.205 0 N-CA-C 108.791 -0.818 . . . . 0.0 108.791 171.753 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1965 ' ' LEU . . . . . 0.638 HD12 ' HA ' ' A' 1962 ' ' SER . 37.2 mt -49.69 -47.38 50.34 Favored 'General case' 0 CA--C 1.532 0.261 0 CA-C-N 115.48 -0.782 . . . . 0.0 111.092 179.261 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1966 ' ' ALA . . . . . . . . . . . . . . . -64.75 -34.48 78.42 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.71 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1967 ' ' ALA . . . . . . . . . . . . . . . -64.68 -43.47 93.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.508 -0.314 . . . . 0.0 111.352 -178.805 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1968 ' ' LEU . . . . . 1.014 ' HB3' ' HG3' ' A' 1854 ' ' GLN . 2.7 mm? -65.54 -39.12 91.38 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-O 121.169 0.509 . . . . 0.0 110.568 178.677 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1969 ' ' GLN . . . . . . . . . . . . . 72.1 mt-30 -82.27 10.69 6.46 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.033 -176.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1970 ' ' ALA . . . . . . . . . . . . . . . -101.27 121.44 41.88 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.753 179.446 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1971 ' ' GLY . . . . . . . . . . . . . . . -115.56 -36.11 1.22 Allowed Glycine 0 N--CA 1.447 -0.601 0 N-CA-C 110.561 -1.016 . . . . 0.0 110.561 172.211 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1972 ' ' ASN . . . . . . . . . . . . . 25.4 t-20 -158.73 -36.61 0.06 Allowed 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 114.739 -0.731 . . . . 0.0 109.049 176.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1973 ' ' ARG . . . . . . . . . . . . . 36.4 mmt180 . . . . . 0 C--O 1.249 1.069 0 CA-C-O 118.301 -0.857 . . . . 0.0 109.761 177.502 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A 1837 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.64 0 N-CA-C 112.257 -0.337 . . . . 0.0 112.257 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A 1838 ' ' ILE . . . . . . . . . . . . . 14.0 tt -142.28 153.38 18.24 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 N-CA-C 109.9 -0.407 . . . . 0.0 109.9 -179.561 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1839 ' ' ASP . . . . . 0.433 ' HB3' ' HD2' ' A' 1841 ' ' PHE . 41.6 m-20 -64.73 135.17 96.27 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-O 120.74 0.305 . . . . 0.0 110.794 -179.624 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1840 ' ' PRO . . . . . 0.723 ' HA ' ' SD ' ' A' 1843 ' ' MET . 74.1 Cg_endo -75.11 20.13 0.48 Allowed 'Trans proline' 0 C--O 1.233 0.265 0 C-N-CA 123.058 2.505 . . . . 0.0 113.544 -175.347 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1841 ' ' PHE . . . . . 0.433 ' HD2' ' HB3' ' A' 1839 ' ' ASP . 85.8 m-85 -83.56 -19.64 35.24 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.909 0.385 . . . . 0.0 110.772 -179.776 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1842 ' ' THR . . . . . . . . . . . . . 18.2 p -89.87 -5.93 56.33 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.002 178.643 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1843 ' ' MET . . . . . 0.723 ' SD ' ' HA ' ' A' 1840 ' ' PRO . 1.0 OUTLIER -78.9 -59.67 2.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.04 -179.012 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A 1844 ' ' GLY . . . . . . . . . . . . . . . -75.46 90.71 0.84 Allowed Glycine 0 N--CA 1.447 -0.614 0 C-N-CA 120.667 -0.777 . . . . 0.0 111.746 -179.388 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1845 ' ' ASP . . . . . . . . . . . . . 20.1 m-20 -66.79 114.55 18.25 Favored Pre-proline 0 C--N 1.327 -0.383 0 CA-C-O 120.801 0.334 . . . . 0.0 110.747 -179.403 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1846 ' ' PRO . . . . . . . . . . . . . 96.6 Cg_endo -91.63 -12.09 2.14 Favored 'Trans proline' 0 N--CA 1.451 -0.973 0 C-N-CA 122.732 2.288 . . . . 0.0 112.439 178.633 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1847 ' ' GLU . . . . . 0.514 ' HB3' ' HG2' ' A' 1908 ' ' GLU . 8.4 pt-20 31.16 76.79 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.363 0 O-C-N 124.667 1.23 . . . . 0.0 112.02 -172.637 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1848 ' ' GLY . . . . . . . . . . . . . . . 79.92 -141.79 23.76 Favored Glycine 0 N--CA 1.445 -0.753 0 CA-C-N 114.941 -1.027 . . . . 0.0 111.034 -175.033 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1849 ' ' SER . . . . . . . . . . . . . 3.3 p -103.13 23.65 12.04 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-O 121.512 0.672 . . . . 0.0 109.832 174.891 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1850 ' ' PHE . . . . . 0.415 ' HE1' HD11 ' A' 1916 ' ' ILE . 86.3 t80 -54.79 -30.11 56.09 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 114.736 -1.12 . . . . 0.0 111.576 -178.502 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1851 ' ' VAL . . . . . . . . . . . . . 35.2 m -54.9 -36.54 38.12 Favored 'Isoleucine or valine' 0 C--O 1.235 0.304 0 N-CA-C 112.227 0.454 . . . . 0.0 112.227 -178.346 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1852 ' ' ASP . . . . . . . . . . . . . 36.1 t70 -79.54 -47.94 14.69 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.839 0.352 . . . . 0.0 110.547 -177.214 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1853 ' ' TYR . . . . . 0.586 ' O ' ' HG2' ' A' 1857 ' ' MET . 56.1 m-85 -61.68 -39.89 93.04 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.353 -179.599 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1854 ' ' GLN . . . . . 0.81 ' HG3' ' HB3' ' A' 1968 ' ' LEU . 26.9 tt0 -53.39 -51.6 62.02 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.558 174.419 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1855 ' ' THR . . . . . 0.647 ' O ' ' HG2' ' A' 1859 ' ' ARG . 40.4 m -68.31 -36.87 79.96 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.732 -0.667 . . . . 0.0 112.042 -174.642 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1856 ' ' THR . . . . . 0.476 HG22 ' HA ' ' A' 1853 ' ' TYR . 13.8 t -72.42 -45.45 59.59 Favored 'General case' 0 CA--C 1.538 0.495 0 N-CA-C 112.248 0.462 . . . . 0.0 112.248 -173.35 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1857 ' ' MET . . . . . 0.586 ' HG2' ' O ' ' A' 1853 ' ' TYR . 11.5 ptm -79.01 -21.47 46.92 Favored 'General case' 0 C--N 1.33 -0.254 0 O-C-N 122.068 -0.395 . . . . 0.0 112.031 -172.485 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1858 ' ' VAL . . . . . 0.482 HG13 ' O ' ' A' 1854 ' ' GLN . 26.4 m -69.51 -29.28 41.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 C-N-CA 119.864 -0.734 . . . . 0.0 109.61 174.105 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1859 ' ' ARG . . . . . 0.647 ' HG2' ' O ' ' A' 1855 ' ' THR . 15.9 mmt180 -71.32 -41.49 69.79 Favored 'General case' 0 C--O 1.233 0.188 0 N-CA-C 109.491 -0.559 . . . . 0.0 109.491 176.475 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1860 ' ' THR . . . . . . . . . . . . . 3.6 m -61.41 -42.73 99.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.458 -0.792 . . . . 0.0 110.798 179.787 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1861 ' ' ALA . . . . . 0.462 ' HB1' ' HB ' ' A' 1961 ' ' VAL . . . -57.78 -39.24 77.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.13 179.773 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1862 ' ' LYS . . . . . . . . . . . . . 51.1 mttm -66.83 -37.38 84.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.675 179.583 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1863 ' ' ALA . . . . . . . . . . . . . . . -72.44 -34.81 68.06 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.536 179.784 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1864 ' ' ILE . . . . . 0.597 ' O ' HG13 ' A' 1868 ' ' VAL . 68.6 mt -65.33 -46.31 90.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.105 174.355 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1865 ' ' ALA . . . . . 0.834 ' HB2' HG21 ' A' 1961 ' ' VAL . . . -57.7 -51.35 69.89 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.681 -179.017 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1866 ' ' VAL . . . . . 0.484 ' O ' ' HG3' ' A' 1870 ' ' GLU . 11.7 p -61.4 -31.24 49.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 C-N-CA 120.866 -0.334 . . . . 0.0 110.739 -179.751 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1867 ' ' THR . . . . . 0.67 ' O ' ' HG3' ' A' 1871 ' ' MET . 96.2 m -66.25 -52.33 48.71 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.625 -0.261 . . . . 0.0 110.875 177.62 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1868 ' ' VAL . . . . . 0.597 HG13 ' O ' ' A' 1864 ' ' ILE . 2.5 m -63.36 -30.67 50.36 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.331 0 CA-C-O 121.75 0.786 . . . . 0.0 110.069 -178.786 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1869 ' ' GLN . . . . . . . . . . . . . 5.6 tp-100 -75.56 -28.33 58.96 Favored 'General case' 0 N--CA 1.429 -1.489 0 CA-C-N 114.788 -1.096 . . . . 0.0 110.231 -179.87 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1870 ' ' GLU . . . . . 0.484 ' HG3' ' O ' ' A' 1866 ' ' VAL . 48.3 mt-10 -72.29 -41.71 66.33 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 109.954 -0.387 . . . . 0.0 109.954 170.929 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1871 ' ' MET . . . . . 0.67 ' HG3' ' O ' ' A' 1867 ' ' THR . 46.1 mtp -57.7 -42.99 84.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.261 -176.769 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1872 ' ' VAL . . . . . 0.434 HG12 ' HA ' ' A' 1951 ' ' ILE . 27.0 m -73.13 -29.31 28.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.792 0.329 . . . . 0.0 111.624 178.911 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1873 ' ' THR . . . . . . . . . . . . . 95.7 m -76.71 -41.29 45.75 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.056 0.455 . . . . 0.0 110.914 179.866 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1874 ' ' LYS . . . . . 0.66 ' HD2' ' HG3' ' A' 1881 ' ' GLU . 70.4 mmtt -70.57 -43.41 69.5 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.108 -178.852 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1875 ' ' SER . . . . . 0.472 ' HB2' ' HG3' ' A' 1947 ' ' LYS . 12.4 p -57.12 -20.63 26.87 Favored 'General case' 0 N--CA 1.465 0.301 0 N-CA-C 113.107 0.781 . . . . 0.0 113.107 -171.878 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1876 ' ' ASN . . . . . . . . . . . . . 92.1 m-20 -61.0 -36.33 79.22 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.783 0.325 . . . . 0.0 111.274 179.148 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1877 ' ' THR . . . . . . . . . . . . . 37.0 p -129.05 -38.54 1.62 Allowed 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.063 0.459 . . . . 0.0 111.644 -177.611 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1878 ' ' SER . . . . . . . . . . . . . 50.2 m -112.8 104.68 55.97 Favored Pre-proline 0 C--N 1.322 -0.611 0 CA-C-N 115.837 -0.619 . . . . 0.0 111.764 -171.742 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1879 ' ' PRO . . . . . 1.025 ' HA ' HD12 ' A' 1882 ' ' LEU . 53.1 Cg_endo -90.03 -8.06 4.25 Favored 'Trans proline' 0 N--CA 1.442 -1.514 0 C-N-CA 121.971 1.781 . . . . 0.0 111.841 171.929 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1880 ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 -73.24 -32.37 64.68 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.6 177.353 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1881 ' ' GLU . . . . . 0.66 ' HG3' ' HD2' ' A' 1874 ' ' LYS . 9.6 mm-40 -70.46 -14.6 62.6 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.542 -178.7 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1882 ' ' LEU . . . . . 1.025 HD12 ' HA ' ' A' 1879 ' ' PRO . 1.7 mt -84.69 -4.33 58.97 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.468 -0.787 . . . . 0.0 112.722 -169.571 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1883 ' ' GLY . . . . . . . . . . . . . . . -76.06 -60.77 3.02 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.438 -0.886 . . . . 0.0 111.269 174.196 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1884 ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -55.5 -42.3 69.29 Favored 'Trans proline' 0 C--N 1.349 0.576 0 C-N-CA 122.751 2.3 . . . . 0.0 112.18 175.427 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1885 ' ' LEU . . . . . 0.523 ' HB3' ' HG2' ' A' 1871 ' ' MET . 43.1 mt -60.4 -40.22 90.18 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.813 -178.447 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1886 ' ' ALA . . . . . . . . . . . . . . . -65.74 -45.22 83.42 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.981 0.42 . . . . 0.0 110.67 179.767 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1887 ' ' ASN . . . . . . . . . . . . . 92.9 m-20 -65.56 -35.19 80.13 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.077 0.465 . . . . 0.0 110.304 177.205 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1888 ' ' GLN . . . . . . . . . . . . . 33.5 tp60 -64.85 -49.58 70.02 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.58 -0.737 . . . . 0.0 110.792 179.57 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1889 ' ' LEU . . . . . 0.475 HD12 ' SD ' ' A' 1871 ' ' MET . 0.8 OUTLIER -57.94 -45.25 86.88 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 109.546 -0.538 . . . . 0.0 109.546 177.441 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A 1890 ' ' THR . . . . . . . . . . . . . 87.7 m -59.67 -44.58 93.55 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.612 -0.722 . . . . 0.0 111.386 179.423 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1891 ' ' SER . . . . . . . . . . . . . 21.0 t -68.44 -45.87 71.36 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.844 -178.551 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1892 ' ' ASP . . . . . 0.512 ' HB3' HG12 ' A' 1864 ' ' ILE . 0.1 OUTLIER -65.95 -40.14 91.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.525 -0.307 . . . . 0.0 110.93 -177.79 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A 1893 ' ' TYR . . . . . . . . . . . . . 27.4 t80 -60.09 -43.9 95.18 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.626 0.251 . . . . 0.0 110.699 176.031 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1894 ' ' GLY . . . . . . . . . . . . . . . -58.01 -36.54 81.62 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.849 -0.691 . . . . 0.0 111.763 179.104 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1895 ' ' ARG . . . . . . . . . . . . . 41.6 ttm105 -69.18 -46.91 66.34 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.001 0.429 . . . . 0.0 110.141 176.897 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1896 ' ' LEU . . . . . 0.51 HD12 ' HB2' ' A' 1857 ' ' MET . 57.8 tp -57.76 -47.33 82.82 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.986 179.307 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1897 ' ' ALA . . . . . . . . . . . . . . . -64.69 -24.06 67.45 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.328 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1898 ' ' SER . . . . . . . . . . . . . 35.0 t -79.46 -21.16 45.81 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.585 0.707 . . . . 0.0 109.547 -177.29 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1899 ' ' GLN . . . . . 0.423 HE21 ' HB2' ' A' 1899 ' ' GLN . 10.6 mt-30 -95.36 -16.78 22.11 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.106 -0.952 . . . . 0.0 110.483 -177.887 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1900 ' ' ALA . . . . . . . . . . . . . . . -74.5 -31.21 62.1 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.767 -0.652 . . . . 0.0 110.643 176.665 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1901 ' ' LYS . . . . . 0.673 ' HB3' ' HD3' ' A' 1902 ' ' PRO . 24.1 tptm -59.24 -57.71 24.97 Favored Pre-proline 0 CA--C 1.54 0.571 0 CA-C-N 115.355 -0.838 . . . . 0.0 112.107 -177.581 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1902 ' ' PRO . . . . . 0.673 ' HD3' ' HB3' ' A' 1901 ' ' LYS . 4.9 Cg_exo -77.7 -20.21 12.2 Favored 'Trans proline' 0 C--N 1.353 0.806 0 C-N-CA 121.891 1.727 . . . . 0.0 112.362 -176.508 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1903 ' ' ALA . . . . . . . . . . . . . . . -72.08 -36.59 69.56 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.871 0.367 . . . . 0.0 110.623 179.803 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1904 ' ' ALA . . . . . . . . . . . . . . . -72.77 -32.69 65.81 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.739 -176.47 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1905 ' ' VAL . . . . . 0.436 HG22 ' HA ' ' A' 1902 ' ' PRO . 34.7 m -85.23 -26.92 6.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 115.923 -0.58 . . . . 0.0 111.244 -179.163 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1906 ' ' ALA . . . . . . . . . . . . . . . -74.3 -45.96 44.23 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.558 0.218 . . . . 0.0 110.79 179.094 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1907 ' ' ALA . . . . . . . . . . . . . . . -57.36 137.8 55.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.304 -179.294 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1908 ' ' GLU . . . . . 0.514 ' HG2' ' HB3' ' A' 1847 ' ' GLU . 9.3 pt-20 -93.61 -12.4 29.55 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.158 0.504 . . . . 0.0 110.486 -179.353 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1909 ' ' ASN . . . . . . . . . . . . . 42.6 m-80 -86.02 130.98 34.37 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.352 177.837 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1910 ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -56.23 -50.87 70.04 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.845 178.719 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1911 ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -63.82 -39.8 95.08 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.48 -0.782 . . . . 0.0 111.966 -173.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1912 ' ' ILE . . . . . 0.543 ' O ' HG13 ' A' 1916 ' ' ILE . 53.8 mt -59.24 -53.68 44.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 C-N-CA 120.66 -0.416 . . . . 0.0 110.275 -179.861 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1913 ' ' GLY . . . . . . . . . . . . . . . -59.72 -32.36 73.97 Favored Glycine 0 C--N 1.33 0.239 0 C-N-CA 120.973 -0.632 . . . . 0.0 112.425 -179.885 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1914 ' ' ALA . . . . . . . . . . . . . . . -74.81 -46.26 37.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.656 0.265 . . . . 0.0 110.738 179.613 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1915 ' ' HIS . . . . . 0.659 ' O ' ' HG2' ' A' 1919 ' ' ARG . 67.8 m-70 -63.03 -45.16 93.59 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.332 -177.586 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1916 ' ' ILE . . . . . 0.543 HG13 ' O ' ' A' 1912 ' ' ILE . 98.9 mt -50.96 -56.37 4.82 Favored 'Isoleucine or valine' 0 C--O 1.234 0.245 0 CA-C-O 121.133 0.492 . . . . 0.0 111.375 -178.772 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1917 ' ' LYS . . . . . 0.474 ' HA ' HG22 ' A' 1920 ' ' VAL . 56.8 mtmt -73.8 -24.82 59.87 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.316 -177.336 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1918 ' ' HIS . . . . . 0.484 ' O ' ' HB3' ' A' 1921 ' ' GLN . 8.3 t-80 -69.37 -31.65 70.18 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.951 0.405 . . . . 0.0 110.227 178.895 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1919 ' ' ARG . . . . . 0.659 ' HG2' ' O ' ' A' 1915 ' ' HIS . 24.6 mmt180 -75.68 -49.16 19.16 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.675 -178.225 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1920 ' ' VAL . . . . . 0.474 HG22 ' HA ' ' A' 1917 ' ' LYS . 32.7 m -66.63 -24.21 32.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 121.094 0.474 . . . . 0.0 110.208 178.269 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1921 ' ' GLN . . . . . 0.484 ' HB3' ' O ' ' A' 1918 ' ' HIS . 40.1 tt0 -54.24 -53.73 49.63 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.894 175.638 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1922 ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -75.41 -32.62 60.81 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.196 -177.367 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1923 ' ' LEU . . . . . 0.401 ' HG ' ' HB3' ' A' 1960 ' ' LYS . 30.9 mt -61.84 -30.51 70.89 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.261 178.051 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1924 ' ' GLY . . . . . . . . . . . . . . . -62.25 -41.6 99.72 Favored Glycine 0 N--CA 1.449 -0.456 0 C-N-CA 120.789 -0.72 . . . . 0.0 111.975 177.382 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1925 ' ' HIS . . . . . . . . . . . . . 23.5 m170 -70.46 -44.44 67.77 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.737 -0.468 . . . . 0.0 109.737 178.771 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1926 ' ' GLY . . . . . 0.442 ' O ' ' HB2' ' A' 1930 ' ' LEU . . . -62.67 -38.86 97.13 Favored Glycine 0 N--CA 1.447 -0.603 0 CA-C-N 115.748 -0.66 . . . . 0.0 112.195 179.621 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1927 ' ' CYS . . . . . . . . . . . . . 53.6 t -63.64 -52.61 60.06 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.541 0.21 . . . . 0.0 110.447 177.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1928 ' ' SER . . . . . . . . . . . . . 62.5 p -63.08 -34.39 77.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.043 -176.875 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1929 ' ' ALA . . . . . . . . . . . . . . . -72.8 -48.75 35.37 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.466 -0.333 . . . . 0.0 111.043 178.788 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1930 ' ' LEU . . . . . 0.448 ' HG ' ' HB3' ' A' 1953 ' ' CYS . 0.4 OUTLIER -61.47 -46.11 91.41 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.122 -175.28 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A 1931 ' ' VAL . . . . . . . . . . . . . 23.4 m -64.55 -28.91 45.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.851 0.358 . . . . 0.0 111.063 -177.594 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1932 ' ' THR . . . . . . . . . . . . . 30.9 m -76.05 -41.0 52.09 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.281 177.194 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1933 ' ' LYS . . . . . . . . . . . . . 75.1 mmtt -64.62 -37.34 87.24 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.026 0.441 . . . . 0.0 110.152 176.629 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1934 ' ' ALA . . . . . . . . . . . . . . . -61.63 -50.54 72.16 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.506 176.473 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1935 ' ' GLY . . . . . . . . . . . . . . . -65.24 -33.45 86.85 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.881 -0.676 . . . . 0.0 112.319 178.584 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1936 ' ' ALA . . . . . . . . . . . . . . . -65.44 -48.25 73.37 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.758 0.313 . . . . 0.0 110.664 177.719 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1937 ' ' LEU . . . . . 0.42 ' HB2' HG22 ' A' 1946 ' ' THR . 24.4 tp -66.99 -31.98 72.92 Favored 'General case' 0 CA--C 1.513 -0.464 0 CA-C-O 121.148 0.499 . . . . 0.0 110.407 178.77 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1938 ' ' GLN . . . . . 0.53 ' HA ' ' HB2' ' A' 1879 ' ' PRO . 37.6 tt0 -68.37 -26.91 65.81 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.142 178.928 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1939 ' ' CYS . . . . . . . . . . . . . 42.2 t -82.97 -35.61 25.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.364 176.105 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1940 ' ' SER . . . . . . . . . . . . . 74.9 m -128.27 83.28 66.58 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.916 177.313 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1941 ' ' PRO . . . . . 0.659 ' HB3' ' HG3' ' A' 1879 ' ' PRO . 51.7 Cg_endo -70.56 -21.35 29.91 Favored 'Trans proline' 0 C--N 1.343 0.288 0 C-N-CA 122.522 2.148 . . . . 0.0 112.691 -175.918 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1942 ' ' SER . . . . . . . . . . . . . 32.2 m -85.04 -1.82 57.27 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.335 -177.021 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1943 ' ' ASP . . . . . . . . . . . . . 23.5 t70 -94.93 111.59 23.37 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.895 0.379 . . . . 0.0 110.263 179.428 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1944 ' ' VAL . . . . . . . . . . . . . 9.8 p -75.68 -28.61 19.71 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.716 -176.671 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1945 ' ' TYR . . . . . 0.454 ' O ' ' HG3' ' A' 1949 ' ' GLU . 66.5 m-85 -64.88 -43.2 93.69 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.735 -177.24 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1946 ' ' THR . . . . . 0.42 HG22 ' HB2' ' A' 1937 ' ' LEU . 85.5 m -59.06 -41.01 86.92 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.405 174.838 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1947 ' ' LYS . . . . . 0.472 ' HG3' ' HB2' ' A' 1875 ' ' SER . 11.7 ttpp -67.41 -37.93 83.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.163 179.477 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1948 ' ' LYS . . . . . 0.489 ' HE2' ' HA ' ' A' 1948 ' ' LYS . 7.6 mmpt? -58.2 -49.81 75.75 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.434 178.816 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1949 ' ' GLU . . . . . 0.454 ' HG3' ' O ' ' A' 1945 ' ' TYR . 37.5 mt-10 -65.5 -28.13 68.97 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.039 -178.022 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1950 ' ' LEU . . . . . 0.456 HD11 HD22 ' A' 1882 ' ' LEU . 7.7 tt -63.45 -47.48 81.65 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.007 -0.738 . . . . 0.0 109.007 174.723 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1951 ' ' ILE . . . . . 0.462 ' O ' ' HG2' ' A' 1955 ' ' ARG . 1.7 mp -63.41 -44.71 99.04 Favored 'Isoleucine or valine' 0 C--O 1.235 0.314 0 CA-C-N 115.615 -0.721 . . . . 0.0 110.289 176.384 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1952 ' ' GLU . . . . . 0.435 ' O ' ' HG3' ' A' 1956 ' ' ARG . 35.7 mm-40 -55.61 -39.81 71.26 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.264 178.49 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1953 ' ' CYS . . . . . 0.448 ' HB3' ' HG ' ' A' 1930 ' ' LEU . 11.7 t -74.53 -42.63 58.53 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 116.513 -0.312 . . . . 0.0 110.775 -177.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1954 ' ' ALA . . . . . . . . . . . . . . . -64.58 -41.49 96.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.516 -0.311 . . . . 0.0 111.677 -176.821 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1955 ' ' ARG . . . . . 0.462 ' HG2' ' O ' ' A' 1951 ' ' ILE . 9.9 ptp180 -66.96 -24.6 66.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.876 0.369 . . . . 0.0 110.629 179.113 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1956 ' ' ARG . . . . . 0.554 ' O ' ' HD3' ' A' 1960 ' ' LYS . 43.8 mtp180 -81.28 -30.03 34.14 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.667 179.708 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1957 ' ' VAL . . . . . 0.455 ' O ' HG13 ' A' 1961 ' ' VAL . 12.1 m -89.07 -30.95 5.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 C-N-CA 120.644 -0.422 . . . . 0.0 111.934 -178.187 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1958 ' ' SER . . . . . 0.612 ' O ' HG22 ' A' 1961 ' ' VAL . 23.4 p -63.78 -24.03 67.6 Favored 'General case' 0 CA--C 1.531 0.213 0 CA-C-O 120.931 0.396 . . . . 0.0 111.47 -175.781 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1959 ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -77.87 -33.79 51.95 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.784 0.326 . . . . 0.0 110.802 174.422 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1960 ' ' LYS . . . . . 0.554 ' HD3' ' O ' ' A' 1956 ' ' ARG . 12.1 mptt -66.54 -31.39 72.07 Favored 'General case' 0 CA--C 1.516 -0.328 0 CA-C-N 116.554 -0.294 . . . . 0.0 110.691 -178.879 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1961 ' ' VAL . . . . . 0.834 HG21 ' HB2' ' A' 1865 ' ' ALA . 2.2 m -64.97 -37.26 79.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 116.209 -0.451 . . . . 0.0 109.833 -179.89 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1962 ' ' SER . . . . . 0.683 ' HA ' HD12 ' A' 1965 ' ' LEU . 14.3 m -73.0 -24.98 60.82 Favored 'General case' 0 N--CA 1.441 -0.907 0 CA-C-O 121.305 0.574 . . . . 0.0 110.154 176.521 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1963 ' ' HIS . . . . . 0.453 ' HB3' ' CD ' ' A' 1919 ' ' ARG . 64.5 m170 -72.21 -30.37 64.86 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.655 -0.702 . . . . 0.0 109.785 176.618 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1964 ' ' VAL . . . . . 0.433 ' O ' HD23 ' A' 1968 ' ' LEU . 90.7 t -65.38 -44.93 94.45 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.203 0 N-CA-C 108.921 -0.77 . . . . 0.0 108.921 172.558 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1965 ' ' LEU . . . . . 0.683 HD12 ' HA ' ' A' 1962 ' ' SER . 54.1 mt -53.87 -46.51 71.35 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.007 -0.997 . . . . 0.0 110.735 178.671 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1966 ' ' ALA . . . . . . . . . . . . . . . -75.98 -31.23 58.88 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.88 -178.286 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1967 ' ' ALA . . . . . . . . . . . . . . . -63.99 -46.43 84.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.009 0.433 . . . . 0.0 111.184 -179.75 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1968 ' ' LEU . . . . . 0.81 ' HB3' ' HG3' ' A' 1854 ' ' GLN . 4.1 mm? -71.75 -29.75 64.85 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.972 -179.454 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1969 ' ' GLN . . . . . . . . . . . . . 47.4 mt-30 -94.89 14.75 20.55 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.517 -0.31 . . . . 0.0 110.961 -179.085 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1970 ' ' ALA . . . . . 0.495 ' HB3' HG12 ' A' 1912 ' ' ILE . . . -70.67 -18.27 62.84 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.92 0.39 . . . . 0.0 111.05 -179.228 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1971 ' ' GLY . . . . . . . . . . . . . . . -75.31 -10.64 84.42 Favored Glycine 0 N--CA 1.449 -0.449 0 C-N-CA 120.734 -0.746 . . . . 0.0 111.657 176.322 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1972 ' ' ASN . . . . . . . . . . . . . 5.1 m-20 55.19 -107.47 0.38 Allowed 'General case' 0 C--O 1.233 0.229 0 C-N-CA 123.114 0.566 . . . . 0.0 111.296 -179.693 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1973 ' ' ARG . . . . . 0.416 ' C ' ' HE ' ' A' 1973 ' ' ARG . 0.0 OUTLIER . . . . . 0 C--O 1.244 0.801 0 CA-C-O 118.45 -0.786 . . . . 0.0 109.094 -179.695 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1837 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.8 0 N-CA-C 111.113 -0.795 . . . . 0.0 111.113 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A 1838 ' ' ILE . . . . . . . . . . . . . 56.0 mt -93.18 93.96 4.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 N-CA-C 108.383 -0.969 . . . . 0.0 108.383 170.645 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1839 ' ' ASP . . . . . . . . . . . . . 14.9 m-20 -110.22 126.43 28.96 Favored Pre-proline 0 C--N 1.318 -0.763 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.004 -172.247 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1840 ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -77.61 -18.27 13.73 Favored 'Trans proline' 0 N--CA 1.461 -0.433 0 C-N-CA 122.728 2.286 . . . . 0.0 112.44 179.076 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1841 ' ' PHE . . . . . . . . . . . . . 34.8 m-85 -108.21 170.0 8.28 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.295 0.569 . . . . 0.0 111.155 -175.526 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1842 ' ' THR . . . . . . . . . . . . . 60.4 p -115.1 -164.55 0.95 Allowed 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.313 -0.858 . . . . 0.0 109.582 177.432 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1843 ' ' MET . . . . . . . . . . . . . 46.2 ttm -78.23 79.85 4.67 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.581 0.705 . . . . 0.0 109.99 176.709 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1844 ' ' GLY . . . . . . . . . . . . . . . -152.66 48.63 0.54 Allowed Glycine 0 N--CA 1.447 -0.627 0 N-CA-C 109.501 -1.44 . . . . 0.0 109.501 177.7 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1845 ' ' ASP . . . . . 0.532 ' HB3' ' HD2' ' A' 1846 ' ' PRO . 9.9 m-20 -65.42 167.8 9.65 Favored Pre-proline 0 C--N 1.325 -0.46 0 CA-C-N 114.404 -0.898 . . . . 0.0 111.216 -172.74 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1846 ' ' PRO . . . . . 0.532 ' HD2' ' HB3' ' A' 1845 ' ' ASP . 83.7 Cg_exo -47.25 -31.56 12.72 Favored 'Trans proline' 0 C--N 1.351 0.702 0 C-N-CA 123.28 2.654 . . . . 0.0 113.159 178.49 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1847 ' ' GLU . . . . . 0.651 ' HB3' ' HG3' ' A' 1908 ' ' GLU . 1.2 pp20? -139.26 178.13 7.41 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.992 -0.374 . . . . 0.0 109.992 175.455 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1848 ' ' GLY . . . . . . . . . . . . . . . -146.72 28.93 1.59 Allowed Glycine 0 N--CA 1.45 -0.43 0 C-N-CA 120.499 -0.858 . . . . 0.0 111.949 179.467 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1849 ' ' SER . . . . . . . . . . . . . 30.7 m -141.39 -33.1 0.52 Allowed 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.185 0.517 . . . . 0.0 110.664 -176.861 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1850 ' ' PHE . . . . . 0.551 ' HZ ' HD11 ' A' 1916 ' ' ILE . 86.2 t80 -75.2 -21.39 58.72 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.453 -0.794 . . . . 0.0 110.109 -177.487 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1851 ' ' VAL . . . . . . . . . . . . . 28.1 m -48.88 -37.0 8.56 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.291 0 CA-C-N 115.426 -0.806 . . . . 0.0 112.421 179.796 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1852 ' ' ASP . . . . . . . . . . . . . 20.6 t70 -66.72 -43.87 83.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.138 0.495 . . . . 0.0 111.244 -176.791 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1853 ' ' TYR . . . . . 0.45 ' CE1' ' HB2' ' A' 1902 ' ' PRO . 51.4 m-85 -81.29 -23.67 37.76 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.33 -177.295 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1854 ' ' GLN . . . . . 0.914 ' HG3' ' HB3' ' A' 1968 ' ' LEU . 6.8 tt0 -68.5 -55.91 10.14 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.503 -0.772 . . . . 0.0 110.604 176.488 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1855 ' ' THR . . . . . 0.589 ' O ' ' HG2' ' A' 1859 ' ' ARG . 14.7 m -59.26 -40.68 86.76 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.993 -0.549 . . . . 0.0 112.31 -174.412 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1856 ' ' THR . . . . . 0.457 HG23 ' N ' ' A' 1857 ' ' MET . 6.2 t -62.33 -53.42 55.27 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 112.559 0.578 . . . . 0.0 112.559 -173.467 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1857 ' ' MET . . . . . 0.69 ' SD ' HD21 ' A' 1968 ' ' LEU . 7.2 ptp -77.85 -24.19 48.67 Favored 'General case' 0 C--N 1.327 -0.4 0 C-N-CA 120.415 -0.514 . . . . 0.0 111.972 -172.58 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1858 ' ' VAL . . . . . 0.413 ' O ' ' HG3' ' A' 1862 ' ' LYS . 23.3 m -69.87 -32.07 50.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 C-N-CA 119.546 -0.862 . . . . 0.0 109.251 174.736 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1859 ' ' ARG . . . . . 0.589 ' HG2' ' O ' ' A' 1855 ' ' THR . 30.5 mmt180 -70.23 -37.65 75.04 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-O 121.124 0.488 . . . . 0.0 109.691 174.322 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1860 ' ' THR . . . . . 0.495 ' HA ' HH21 ' A' 1895 ' ' ARG . 99.0 m -65.64 -44.26 86.96 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.504 -0.771 . . . . 0.0 111.069 176.781 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1861 ' ' ALA . . . . . 0.4 ' HB1' ' HB ' ' A' 1961 ' ' VAL . . . -59.5 -40.01 85.66 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.842 0.353 . . . . 0.0 110.929 179.297 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1862 ' ' LYS . . . . . 0.413 ' HG3' ' O ' ' A' 1858 ' ' VAL . 52.1 mttm -64.03 -41.03 97.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.428 177.133 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1863 ' ' ALA . . . . . . . . . . . . . . . -67.16 -36.46 81.86 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.773 178.88 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1864 ' ' ILE . . . . . 0.635 ' O ' HG13 ' A' 1868 ' ' VAL . 76.1 mt -65.17 -47.52 87.24 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-N 116.368 -0.378 . . . . 0.0 109.994 174.777 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1865 ' ' ALA . . . . . 0.833 ' HB2' HG21 ' A' 1961 ' ' VAL . . . -56.72 -42.13 78.65 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.019 -0.537 . . . . 0.0 112.119 -177.709 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1866 ' ' VAL . . . . . . . . . . . . . 12.6 p -71.96 -32.44 44.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 C-N-CA 120.565 -0.454 . . . . 0.0 110.587 179.717 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1867 ' ' THR . . . . . 0.401 ' O ' ' HG3' ' A' 1871 ' ' MET . 92.1 m -68.96 -46.69 67.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.558 -0.292 . . . . 0.0 111.133 179.585 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1868 ' ' VAL . . . . . 0.635 HG13 ' O ' ' A' 1864 ' ' ILE . 3.2 m -62.62 -30.26 48.85 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.311 0 CA-C-O 121.767 0.794 . . . . 0.0 109.646 178.733 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1869 ' ' GLN . . . . . . . . . . . . . 8.9 tp-100 -78.32 -35.66 47.41 Favored 'General case' 0 N--CA 1.421 -1.912 0 CA-C-N 114.856 -1.066 . . . . 0.0 110.356 -177.884 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1870 ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -65.03 -36.04 83.12 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.97 -0.382 . . . . 0.0 109.97 173.165 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1871 ' ' MET . . . . . 0.404 ' SD ' HD12 ' A' 1889 ' ' LEU . 8.1 mtt -56.65 -51.25 69.44 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.03 177.697 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1872 ' ' VAL . . . . . 0.618 HG12 ' HA ' ' A' 1951 ' ' ILE . 33.2 m -72.36 -28.48 28.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 120.893 0.378 . . . . 0.0 111.532 -178.755 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1873 ' ' THR . . . . . . . . . . . . . 92.6 m -72.59 -47.13 50.49 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 120.995 0.426 . . . . 0.0 110.855 177.863 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1874 ' ' LYS . . . . . . . . . . . . . 71.5 mmtt -71.09 -37.27 72.42 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.75 -176.676 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1875 ' ' SER . . . . . 0.628 ' HB3' HD11 ' A' 1882 ' ' LEU . 12.0 p -57.32 -14.56 4.68 Favored 'General case' 0 N--CA 1.468 0.428 0 N-CA-C 112.594 0.59 . . . . 0.0 112.594 -175.123 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1876 ' ' ASN . . . . . . . . . . . . . 12.6 m120 -61.76 -43.36 99.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.51 -0.313 . . . . 0.0 111.048 176.704 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1877 ' ' THR . . . . . . . . . . . . . 74.1 p -131.35 -5.13 3.8 Favored 'General case' 0 CA--C 1.532 0.28 0 N-CA-C 112.045 0.387 . . . . 0.0 112.045 -177.601 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1878 ' ' SER . . . . . . . . . . . . . 68.7 m -138.26 109.2 8.17 Favored Pre-proline 0 C--N 1.325 -0.488 0 N-CA-C 111.99 0.367 . . . . 0.0 111.99 -173.808 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1879 ' ' PRO . . . . . 0.98 ' HA ' HD12 ' A' 1882 ' ' LEU . 25.9 Cg_endo -95.86 -3.65 1.94 Allowed 'Trans proline' 0 N--CA 1.442 -1.555 0 C-N-CA 121.827 1.685 . . . . 0.0 111.399 168.038 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1880 ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -71.59 -50.85 27.06 Favored 'General case' 0 C--N 1.334 -0.07 0 CA-C-N 115.52 -0.764 . . . . 0.0 110.341 179.115 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1881 ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 -63.1 -14.63 50.69 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 115.315 -0.857 . . . . 0.0 111.051 -176.662 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1882 ' ' LEU . . . . . 0.98 HD12 ' HA ' ' A' 1879 ' ' PRO . 6.7 mt -75.26 -12.21 60.23 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.588 -0.733 . . . . 0.0 112.131 -175.378 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1883 ' ' GLY . . . . . . . . . . . . . . . -75.38 -61.33 3.01 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.353 -0.927 . . . . 0.0 111.702 175.173 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1884 ' ' PRO . . . . . . . . . . . . . 9.2 Cg_endo -55.48 -41.19 80.49 Favored 'Trans proline' 0 C--N 1.346 0.444 0 C-N-CA 122.975 2.45 . . . . 0.0 112.495 174.71 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1885 ' ' LEU . . . . . . . . . . . . . 66.3 mt -60.15 -36.88 78.54 Favored 'General case' 0 N--CA 1.464 0.225 0 CA-C-O 120.519 0.199 . . . . 0.0 111.206 179.752 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1886 ' ' ALA . . . . . 0.448 ' HB1' ' HB ' ' A' 1931 ' ' VAL . . . -64.36 -49.47 71.51 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.996 0.427 . . . . 0.0 110.29 178.004 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1887 ' ' ASN . . . . . . . . . . . . . 46.4 t30 -61.66 -39.71 92.34 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.259 178.099 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1888 ' ' GLN . . . . . . . . . . . . . 34.8 tp60 -61.12 -50.55 72.79 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.423 -0.808 . . . . 0.0 111.135 179.267 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1889 ' ' LEU . . . . . 0.569 HD11 HG12 ' A' 1868 ' ' VAL . 1.6 tt -57.98 -44.06 86.9 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.344 0.592 . . . . 0.0 109.493 178.105 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1890 ' ' THR . . . . . . . . . . . . . 60.7 m -61.03 -47.85 84.51 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.344 -0.843 . . . . 0.0 111.432 -179.159 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1891 ' ' SER . . . . . . . . . . . . . 20.5 t -64.5 -36.12 83.18 Favored 'General case' 0 C--O 1.236 0.388 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.961 -177.748 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1892 ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -72.78 -39.1 67.03 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.923 178.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1893 ' ' TYR . . . . . . . . . . . . . 45.7 t80 -60.24 -39.13 85.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.634 0.254 . . . . 0.0 110.596 175.818 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1894 ' ' GLY . . . . . . . . . . . . . . . -60.86 -32.12 78.4 Favored Glycine 0 CA--C 1.517 0.205 0 C-N-CA 120.854 -0.688 . . . . 0.0 112.006 176.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1895 ' ' ARG . . . . . 0.495 HH21 ' HA ' ' A' 1860 ' ' THR . 41.1 ttp-105 -78.36 -26.58 46.69 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.304 0.574 . . . . 0.0 110.167 178.106 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1896 ' ' LEU . . . . . 0.477 HD12 ' HB2' ' A' 1857 ' ' MET . 52.8 tp -73.17 -54.92 7.25 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.465 -0.789 . . . . 0.0 110.957 179.118 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1897 ' ' ALA . . . . . . . . . . . . . . . -65.73 -24.98 67.09 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.916 -0.584 . . . . 0.0 112.065 -174.767 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1898 ' ' SER . . . . . . . . . . . . . 8.8 p -80.42 -19.67 45.65 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.921 0.391 . . . . 0.0 110.849 -174.663 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1899 ' ' GLN . . . . . . . . . . . . . 79.9 mm-40 -89.86 -11.23 42.55 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.611 177.184 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1900 ' ' ALA . . . . . . . . . . . . . . . -71.51 -31.86 67.55 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.653 179.469 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1901 ' ' LYS . . . . . 0.472 ' HB3' ' HD3' ' A' 1902 ' ' PRO . 9.2 tmtm? -66.96 -56.46 13.65 Favored Pre-proline 0 CA--C 1.541 0.607 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.189 -178.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1902 ' ' PRO . . . . . 0.472 ' HD3' ' HB3' ' A' 1901 ' ' LYS . 53.0 Cg_endo -70.13 -18.79 35.06 Favored 'Trans proline' 0 C--N 1.354 0.82 0 C-N-CA 121.965 1.776 . . . . 0.0 112.688 179.399 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1903 ' ' ALA . . . . . . . . . . . . . . . -75.94 -35.38 59.73 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.914 0.388 . . . . 0.0 110.721 177.522 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1904 ' ' ALA . . . . . . . . . . . . . . . -70.41 -30.98 67.99 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.087 0.47 . . . . 0.0 110.558 -177.096 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1905 ' ' VAL . . . . . 0.43 HG22 ' HA ' ' A' 1902 ' ' PRO . 33.9 m -89.29 -7.63 10.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.601 -177.589 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1906 ' ' ALA . . . . . . . . . . . . . . . -113.03 12.02 19.13 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.058 0.456 . . . . 0.0 110.386 178.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1907 ' ' ALA . . . . . . . . . . . . . . . -84.94 125.51 32.73 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.882 -178.619 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1908 ' ' GLU . . . . . 0.651 ' HG3' ' HB3' ' A' 1847 ' ' GLU . 6.3 mm-40 -69.77 -35.5 74.96 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.5 179.414 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1909 ' ' ASN . . . . . 0.763 ' HB2' HG13 ' A' 1912 ' ' ILE . 2.3 m-20 -103.33 153.64 20.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.114 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1910 ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -62.09 -53.14 59.65 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.868 177.894 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1911 ' ' GLU . . . . . 0.476 ' HB3' ' CD2' ' A' 1915 ' ' HIS . 32.8 mt-10 -59.76 -36.19 76.13 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.444 -0.798 . . . . 0.0 111.969 -175.262 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1912 ' ' ILE . . . . . 0.763 HG13 ' HB2' ' A' 1909 ' ' ASN . 57.1 mt -55.98 -52.87 44.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 N-CA-C 110.307 -0.257 . . . . 0.0 110.307 -179.126 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1913 ' ' GLY . . . . . 0.423 ' O ' ' HD3' ' A' 1917 ' ' LYS . . . -67.81 -25.14 74.23 Favored Glycine 0 N--CA 1.449 -0.5 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.418 -178.774 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1914 ' ' ALA . . . . . . . . . . . . . . . -81.23 -50.94 8.96 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 122.769 -0.253 . . . . 0.0 111.306 -178.54 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1915 ' ' HIS . . . . . 0.62 ' O ' ' HG2' ' A' 1919 ' ' ARG . 72.5 m-70 -55.48 -44.19 76.26 Favored 'General case' 0 CA--C 1.519 -0.229 0 CA-C-N 116.515 -0.311 . . . . 0.0 111.433 -175.057 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1916 ' ' ILE . . . . . 0.551 HD11 ' HZ ' ' A' 1850 ' ' PHE . 81.8 mt -49.25 -54.58 5.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 121.372 0.606 . . . . 0.0 110.983 178.782 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1917 ' ' LYS . . . . . 0.446 ' HA ' HG22 ' A' 1920 ' ' VAL . 19.9 mtpp -68.95 -32.28 71.76 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.25 -0.886 . . . . 0.0 111.258 -175.5 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1918 ' ' HIS . . . . . . . . . . . . . 70.1 m-70 -67.91 -35.16 77.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.987 0.422 . . . . 0.0 111.097 178.326 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1919 ' ' ARG . . . . . 0.803 ' HD3' ' HB3' ' A' 1963 ' ' HIS . 1.7 mmp_? -81.59 -40.76 22.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.636 -175.864 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1920 ' ' VAL . . . . . 0.446 HG22 ' HA ' ' A' 1917 ' ' LYS . 33.1 m -66.57 -26.79 38.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 C-N-CA 120.822 -0.351 . . . . 0.0 110.744 179.134 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1921 ' ' GLN . . . . . . . . . . . . . 26.3 tt0 -67.04 -44.07 81.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.058 0.456 . . . . 0.0 110.298 176.686 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1922 ' ' GLU . . . . . . . . . . . . . 24.7 tt0 -71.13 -35.44 71.73 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-N 115.944 -0.571 . . . . 0.0 109.634 -179.098 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1923 ' ' LEU . . . . . . . . . . . . . 11.5 mt -64.24 -44.91 90.35 Favored 'General case' 0 C--O 1.224 -0.272 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.715 174.286 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1924 ' ' GLY . . . . . . . . . . . . . . . -54.78 -44.34 80.77 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 121.29 -0.481 . . . . 0.0 112.87 -179.01 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1925 ' ' HIS . . . . . . . . . . . . . 27.5 m80 -63.89 -45.08 90.98 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.707 0.289 . . . . 0.0 110.608 178.043 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1926 ' ' GLY . . . . . 0.401 ' O ' ' HB2' ' A' 1930 ' ' LEU . . . -65.97 -42.6 94.69 Favored Glycine 0 N--CA 1.449 -0.454 0 C-N-CA 120.897 -0.668 . . . . 0.0 112.506 179.905 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1927 ' ' CYS . . . . . . . . . . . . . 72.8 m -62.9 -46.09 89.46 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.682 0.277 . . . . 0.0 110.706 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1928 ' ' SER . . . . . . . . . . . . . 18.2 m -65.49 -39.69 92.21 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.746 -178.376 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1929 ' ' ALA . . . . . . . . . . . . . . . -66.75 -40.62 88.35 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.882 0.372 . . . . 0.0 110.482 176.506 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1930 ' ' LEU . . . . . 0.401 ' HB2' ' O ' ' A' 1926 ' ' GLY . 0.4 OUTLIER -61.64 -51.4 68.62 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.698 -179.11 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A 1931 ' ' VAL . . . . . 0.448 ' HB ' ' HB1' ' A' 1886 ' ' ALA . 20.8 m -63.59 -27.58 43.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-O 120.702 0.287 . . . . 0.0 110.944 -178.07 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1932 ' ' THR . . . . . . . . . . . . . 57.6 m -69.87 -48.67 57.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.896 0.379 . . . . 0.0 110.114 175.899 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1933 ' ' LYS . . . . . . . . . . . . . 74.9 mmtt -66.69 -33.54 75.88 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.722 179.641 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1934 ' ' ALA . . . . . 0.528 ' HA ' HD12 ' A' 1950 ' ' LEU . . . -61.44 -48.68 80.03 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.585 176.89 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1935 ' ' GLY . . . . . . . . . . . . . . . -67.66 -31.58 76.49 Favored Glycine 0 N--CA 1.449 -0.47 0 C-N-CA 120.876 -0.678 . . . . 0.0 112.04 178.206 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1936 ' ' ALA . . . . . . . . . . . . . . . -68.36 -48.1 65.67 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.476 0.179 . . . . 0.0 110.765 177.66 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1937 ' ' LEU . . . . . 0.432 HD23 HD13 ' A' 1882 ' ' LEU . 24.3 tp -65.72 -33.99 77.16 Favored 'General case' 0 CA--C 1.515 -0.389 0 CA-C-O 121.214 0.531 . . . . 0.0 110.47 178.57 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1938 ' ' GLN . . . . . 0.569 ' HA ' ' HB2' ' A' 1879 ' ' PRO . 23.0 tt0 -58.88 -38.35 78.62 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.226 178.689 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1939 ' ' CYS . . . . . . . . . . . . . 48.3 t -83.07 -34.13 26.24 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.626 -0.715 . . . . 0.0 110.402 178.824 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1940 ' ' SER . . . . . . . . . . . . . 18.8 m -122.78 86.54 49.99 Favored Pre-proline 0 C--N 1.327 -0.397 0 CA-C-N 116.431 -0.349 . . . . 0.0 111.14 -178.649 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1941 ' ' PRO . . . . . . . . . . . . . 84.1 Cg_endo -83.8 -9.07 10.04 Favored 'Trans proline' 0 N--CA 1.463 -0.296 0 C-N-CA 122.704 2.269 . . . . 0.0 113.222 -176.441 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1942 ' ' SER . . . . . . . . . . . . . 36.6 m -94.87 -13.01 25.88 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.952 0.406 . . . . 0.0 110.548 -179.327 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1943 ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -79.9 99.33 7.52 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.019 -0.537 . . . . 0.0 109.936 175.809 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1944 ' ' VAL . . . . . 0.552 ' O ' ' HG2' ' A' 1948 ' ' LYS . 14.0 p -66.43 -33.1 61.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.344 -175.531 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1945 ' ' TYR . . . . . . . . . . . . . 90.3 m-85 -73.8 -31.0 63.04 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.543 0.211 . . . . 0.0 110.511 -178.687 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1946 ' ' THR . . . . . . . . . . . . . 79.7 m -61.84 -38.46 88.31 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.3 0.571 . . . . 0.0 109.504 173.193 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1947 ' ' LYS . . . . . . . . . . . . . 31.8 ttpt -69.85 -41.82 74.36 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.507 -0.77 . . . . 0.0 110.259 176.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1948 ' ' LYS . . . . . 0.577 ' HE2' ' HA ' ' A' 1948 ' ' LYS . 9.8 mmpt? -57.04 -46.01 82.73 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.657 -179.487 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1949 ' ' GLU . . . . . . . . . . . . . 19.4 mm-40 -55.51 -40.99 72.46 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.846 178.419 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1950 ' ' LEU . . . . . 0.702 HD11 HD22 ' A' 1882 ' ' LEU . 7.6 tt -63.39 -51.63 65.03 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.191 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1951 ' ' ILE . . . . . 0.618 ' HA ' HG12 ' A' 1872 ' ' VAL . 1.7 mp -61.91 -46.09 97.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.702 -178.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1952 ' ' GLU . . . . . . . . . . . . . 40.6 mm-40 -59.65 -40.44 87.72 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.322 178.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1953 ' ' CYS . . . . . 0.525 ' O ' HG13 ' A' 1957 ' ' VAL . 7.3 t -69.13 -44.77 71.7 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 116.56 -0.291 . . . . 0.0 110.599 -178.297 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1954 ' ' ALA . . . . . . . . . . . . . . . -64.36 -42.87 95.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.775 0.321 . . . . 0.0 111.69 -177.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1955 ' ' ARG . . . . . 0.45 HH11 ' HD3' ' A' 1955 ' ' ARG . 4.0 ptm180 -65.96 -35.54 80.88 Favored 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 121.056 -0.257 . . . . 0.0 111.059 -178.566 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1956 ' ' ARG . . . . . . . . . . . . . 18.7 ptp180 -80.9 -22.88 39.37 Favored 'General case' 0 C--O 1.225 -0.213 0 C-N-CA 120.714 -0.394 . . . . 0.0 111.443 -176.098 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1957 ' ' VAL . . . . . 0.525 HG13 ' O ' ' A' 1953 ' ' CYS . 12.9 m -85.42 -22.46 7.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 C-N-CA 120.372 -0.531 . . . . 0.0 110.69 174.814 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1958 ' ' SER . . . . . 0.682 ' O ' HG22 ' A' 1961 ' ' VAL . 29.6 t -62.16 -28.62 69.78 Favored 'General case' 0 CA--C 1.531 0.214 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.864 -178.675 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1959 ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -81.45 -26.36 35.37 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.893 0.378 . . . . 0.0 111.197 176.093 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1960 ' ' LYS . . . . . 0.49 ' HA ' ' ND1' ' A' 1963 ' ' HIS . 40.8 mttm -71.6 -27.69 63.29 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.554 -0.294 . . . . 0.0 110.584 -179.098 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1961 ' ' VAL . . . . . 0.833 HG21 ' HB2' ' A' 1865 ' ' ALA . 3.4 m -64.2 -33.79 64.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 N-CA-C 109.538 -0.542 . . . . 0.0 109.538 175.616 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1962 ' ' SER . . . . . 0.549 ' HA ' HD12 ' A' 1965 ' ' LEU . 32.8 t -75.74 -25.01 56.17 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-N 115.634 -0.712 . . . . 0.0 109.82 178.935 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1963 ' ' HIS . . . . . 0.803 ' HB3' ' HD3' ' A' 1919 ' ' ARG . 49.0 m170 -69.99 -29.48 66.58 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.05 178.263 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1964 ' ' VAL . . . . . 0.649 ' O ' HD23 ' A' 1968 ' ' LEU . 61.7 t -71.85 -45.22 66.07 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.183 0 N-CA-C 109.082 -0.71 . . . . 0.0 109.082 172.542 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1965 ' ' LEU . . . . . 0.549 HD12 ' HA ' ' A' 1962 ' ' SER . 82.0 mt -51.77 -45.93 63.94 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.848 -0.614 . . . . 0.0 111.299 179.871 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1966 ' ' ALA . . . . . . . . . . . . . . . -75.7 -28.15 58.5 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 112.033 0.383 . . . . 0.0 112.033 -177.616 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1967 ' ' ALA . . . . . . . . . . . . . . . -71.34 -36.87 71.69 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.828 0.347 . . . . 0.0 111.269 -178.327 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1968 ' ' LEU . . . . . 0.914 ' HB3' ' HG3' ' A' 1854 ' ' GLN . 3.9 mm? -79.86 -33.71 39.9 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.898 -177.595 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1969 ' ' GLN . . . . . . . . . . . . . 48.0 mt-30 -86.75 60.61 6.32 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.697 0.761 . . . . 0.0 109.65 -179.726 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1970 ' ' ALA . . . . . 0.459 ' HB3' HG12 ' A' 1912 ' ' ILE . . . -124.16 -174.52 3.02 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 114.663 -1.153 . . . . 0.0 110.526 179.335 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1971 ' ' GLY . . . . . . . . . . . . . . . 140.79 -73.83 0.38 Allowed Glycine 0 N--CA 1.449 -0.467 0 N-CA-C 111.181 -0.768 . . . . 0.0 111.181 179.794 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1972 ' ' ASN . . . . . . . . . . . . . 27.8 t-20 -101.06 -35.41 9.35 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 109.06 -0.719 . . . . 0.0 109.06 173.358 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1973 ' ' ARG . . . . . . . . . . . . . 38.0 ttt180 . . . . . 0 C--O 1.248 0.975 0 CA-C-N 115.097 -0.956 . . . . 0.0 109.538 177.212 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A 1837 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.687 0 N-CA-C 112.04 -0.424 . . . . 0.0 112.04 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A 1838 ' ' ILE . . . . . . . . . . . . . 75.9 mt 67.74 98.66 0.05 OUTLIER 'Isoleucine or valine' 0 C--O 1.235 0.301 0 CA-C-O 121.283 0.563 . . . . 0.0 111.015 -178.296 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1839 ' ' ASP . . . . . 0.48 ' OD2' ' HB2' ' A' 1841 ' ' PHE . 4.6 p-10 -122.79 146.57 48.51 Favored Pre-proline 0 C--N 1.323 -0.58 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.011 -179.82 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1840 ' ' PRO . . . . . . . . . . . . . 95.6 Cg_endo -87.78 15.93 2.02 Favored 'Trans proline' 0 N--CA 1.46 -0.466 0 C-N-CA 122.893 2.395 . . . . 0.0 113.431 -176.533 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1841 ' ' PHE . . . . . 0.48 ' HB2' ' OD2' ' A' 1839 ' ' ASP . 90.2 m-85 -85.8 66.73 9.77 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.125 0.488 . . . . 0.0 110.941 -179.372 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1842 ' ' THR . . . . . . . . . . . . . 40.0 p -119.2 1.35 11.33 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.854 -179.593 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1843 ' ' MET . . . . . . . . . . . . . 24.1 mmt -122.83 -171.39 2.28 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.378 -0.828 . . . . 0.0 109.901 178.537 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1844 ' ' GLY . . . . . . . . . . . . . . . 82.0 -103.18 2.33 Favored Glycine 0 N--CA 1.448 -0.536 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.063 -179.708 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1845 ' ' ASP . . . . . 0.434 ' HA ' ' HD3' ' A' 1846 ' ' PRO . 19.6 m-20 -103.11 133.91 20.08 Favored Pre-proline 0 C--N 1.322 -0.593 0 CA-C-O 120.695 0.284 . . . . 0.0 110.509 179.497 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1846 ' ' PRO . . . . . 0.434 ' HD3' ' HA ' ' A' 1845 ' ' ASP . 38.5 Cg_exo -58.41 -39.94 79.37 Favored 'Trans proline' 0 CA--C 1.529 0.273 0 C-N-CA 123.124 2.549 . . . . 0.0 112.86 179.868 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1847 ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -97.72 5.08 49.74 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.046 0.451 . . . . 0.0 110.628 178.081 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1848 ' ' GLY . . . . . . . . . . . . . . . 63.99 -136.59 40.74 Favored Glycine 0 N--CA 1.451 -0.365 0 CA-C-N 115.671 -0.695 . . . . 0.0 113.012 177.036 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1849 ' ' SER . . . . . . . . . . . . . 13.3 m -91.71 34.9 0.97 Allowed 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.843 0.354 . . . . 0.0 110.97 -177.149 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1850 ' ' PHE . . . . . . . . . . . . . 83.8 t80 -57.93 -26.83 62.76 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.19 -178.691 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1851 ' ' VAL . . . . . . . . . . . . . 7.2 m -62.73 -28.69 45.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-O 121.007 0.432 . . . . 0.0 111.179 -178.545 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1852 ' ' ASP . . . . . . . . . . . . . 18.5 t70 -80.48 -47.4 14.35 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.175 177.89 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1853 ' ' TYR . . . . . 0.562 ' HB3' ' HB2' ' A' 1903 ' ' ALA . 30.1 m-85 -61.12 -37.16 81.82 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.521 -0.763 . . . . 0.0 111.144 -178.609 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1854 ' ' GLN . . . . . 0.674 ' HG3' ' HB3' ' A' 1968 ' ' LEU . 32.3 tt0 -57.14 -59.99 4.26 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.78 176.761 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1855 ' ' THR . . . . . 0.445 ' O ' ' HG2' ' A' 1859 ' ' ARG . 85.2 m -67.28 -34.23 76.96 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.999 -0.546 . . . . 0.0 112.192 -174.891 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1856 ' ' THR . . . . . 0.479 HG22 ' O ' ' A' 1853 ' ' TYR . 5.0 t -64.98 -46.05 83.08 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 112.015 0.376 . . . . 0.0 112.015 -172.409 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1857 ' ' MET . . . . . 0.659 ' SD ' HD21 ' A' 1968 ' ' LEU . 4.9 ptp -81.99 -30.63 31.51 Favored 'General case' 0 C--N 1.331 -0.21 0 O-C-N 122.009 -0.432 . . . . 0.0 112.092 -175.876 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1858 ' ' VAL . . . . . 0.42 HG13 ' O ' ' A' 1854 ' ' GLN . 28.9 m -64.02 -29.79 48.27 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.105 0 C-N-CA 120.051 -0.66 . . . . 0.0 109.567 177.598 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1859 ' ' ARG . . . . . 0.445 ' HG2' ' O ' ' A' 1855 ' ' THR . 11.7 mmt85 -64.14 -45.37 88.8 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.391 173.352 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1860 ' ' THR . . . . . . . . . . . . . 3.9 m -67.65 -39.17 84.6 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.682 -179.594 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1861 ' ' ALA . . . . . 0.509 ' HB1' ' HB ' ' A' 1961 ' ' VAL . . . -58.66 -42.41 88.34 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.364 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1862 ' ' LYS . . . . . . . . . . . . . 39.6 mttm -63.6 -39.37 94.19 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.688 178.848 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1863 ' ' ALA . . . . . . . . . . . . . . . -66.29 -35.84 81.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.812 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1864 ' ' ILE . . . . . 0.605 ' O ' HG13 ' A' 1868 ' ' VAL . 73.8 mt -66.88 -45.68 86.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.069 175.439 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1865 ' ' ALA . . . . . 0.813 ' HB2' HG21 ' A' 1961 ' ' VAL . . . -58.2 -43.91 87.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.007 -0.542 . . . . 0.0 112.037 -177.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1866 ' ' VAL . . . . . . . . . . . . . 13.9 p -68.83 -33.42 59.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 C-N-CA 120.636 -0.426 . . . . 0.0 110.433 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1867 ' ' THR . . . . . 0.618 ' O ' ' HG3' ' A' 1871 ' ' MET . 96.7 m -62.76 -51.75 65.89 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.508 -0.314 . . . . 0.0 110.681 177.843 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1868 ' ' VAL . . . . . 0.605 HG13 ' O ' ' A' 1864 ' ' ILE . 2.5 m -62.41 -31.09 50.63 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.222 0 CA-C-O 121.508 0.671 . . . . 0.0 110.161 -178.817 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1869 ' ' GLN . . . . . . . . . . . . . 8.9 tp-100 -74.14 -28.54 61.38 Favored 'General case' 0 N--CA 1.426 -1.67 0 CA-C-N 114.979 -1.009 . . . . 0.0 110.282 -178.451 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1870 ' ' GLU . . . . . 0.475 ' O ' ' HG2' ' A' 1874 ' ' LYS . 34.1 mt-10 -73.65 -47.44 39.94 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.078 172.029 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1871 ' ' MET . . . . . 0.618 ' HG3' ' O ' ' A' 1867 ' ' THR . 67.1 mtp -54.37 -46.51 73.03 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.568 -0.742 . . . . 0.0 111.315 -176.248 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1872 ' ' VAL . . . . . 0.511 ' HB ' HG13 ' A' 1951 ' ' ILE . 30.0 m -67.73 -32.81 58.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-O 120.831 0.348 . . . . 0.0 111.469 179.455 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1873 ' ' THR . . . . . . . . . . . . . 97.1 m -68.94 -39.12 79.75 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.324 0.583 . . . . 0.0 110.33 177.575 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1874 ' ' LYS . . . . . 0.475 ' HG2' ' O ' ' A' 1870 ' ' GLU . 67.6 mmtt -70.94 -38.48 72.87 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.54 -0.754 . . . . 0.0 111.307 -178.388 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1875 ' ' SER . . . . . . . . . . . . . 96.3 p -56.63 -20.79 22.99 Favored 'General case' 0 N--CA 1.465 0.295 0 N-CA-C 112.841 0.682 . . . . 0.0 112.841 -172.256 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1876 ' ' ASN . . . . . . . . . . . . . 88.6 m-20 -75.27 -19.71 59.55 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 111.769 0.285 . . . . 0.0 111.769 -177.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1877 ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -140.53 -37.55 0.45 Allowed 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 112.747 0.647 . . . . 0.0 112.747 -174.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1878 ' ' SER . . . . . . . . . . . . . 20.8 m -123.37 98.34 41.37 Favored Pre-proline 0 C--N 1.32 -0.697 0 CA-C-N 116.546 -0.297 . . . . 0.0 111.224 -174.805 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1879 ' ' PRO . . . . . 0.97 ' HA ' HD12 ' A' 1882 ' ' LEU . 53.7 Cg_endo -89.75 -14.56 2.39 Favored 'Trans proline' 0 N--CA 1.446 -1.316 0 C-N-CA 121.708 1.605 . . . . 0.0 112.933 178.509 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1880 ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -78.75 -42.25 28.57 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 112.042 0.386 . . . . 0.0 112.042 -175.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1881 ' ' GLU . . . . . 0.442 ' CD ' ' HD2' ' A' 1874 ' ' LYS . 15.3 pt-20 -72.14 -11.57 60.8 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.418 0.628 . . . . 0.0 110.331 -179.056 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1882 ' ' LEU . . . . . 0.97 HD12 ' HA ' ' A' 1879 ' ' PRO . 0.6 OUTLIER -63.32 -20.57 65.61 Favored 'General case' 0 N--CA 1.449 -0.489 0 CA-C-N 115.377 -0.829 . . . . 0.0 111.826 176.488 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A 1883 ' ' GLY . . . . . . . . . . . . . . . -62.64 -60.87 7.13 Favored Glycine 0 CA--C 1.518 0.258 0 C-N-CA 120.561 -0.828 . . . . 0.0 111.798 176.469 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1884 ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -51.3 -40.31 61.59 Favored 'Trans proline' 0 C--N 1.346 0.425 0 C-N-CA 122.722 2.281 . . . . 0.0 112.412 172.702 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1885 ' ' LEU . . . . . 0.544 ' HB3' ' HG2' ' A' 1871 ' ' MET . 57.1 mt -63.53 -39.61 94.87 Favored 'General case' 0 C--O 1.231 0.117 0 CA-C-N 116.506 -0.316 . . . . 0.0 111.164 179.315 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1886 ' ' ALA . . . . . . . . . . . . . . . -63.74 -44.37 93.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.969 0.414 . . . . 0.0 110.38 177.101 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1887 ' ' ASN . . . . . . . . . . . . . 88.0 m-20 -62.03 -38.88 90.36 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.938 -0.574 . . . . 0.0 109.886 176.683 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1888 ' ' GLN . . . . . . . . . . . . . 31.3 tp60 -61.59 -46.49 89.63 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.581 -0.736 . . . . 0.0 111.125 179.695 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1889 ' ' LEU . . . . . 0.482 HD12 ' SD ' ' A' 1871 ' ' MET . 1.4 tt -60.05 -46.96 87.81 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 109.179 -0.675 . . . . 0.0 109.179 176.633 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1890 ' ' THR . . . . . . . . . . . . . 45.6 m -57.57 -40.59 79.29 Favored 'General case' 0 C--O 1.237 0.443 0 CA-C-N 115.144 -0.935 . . . . 0.0 111.465 -179.757 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1891 ' ' SER . . . . . . . . . . . . . 48.1 m -66.71 -53.01 38.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.365 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1892 ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -63.72 -37.99 89.42 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 111.81 0.3 . . . . 0.0 111.81 -176.373 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1893 ' ' TYR . . . . . . . . . . . . . 51.8 t80 -58.2 -34.99 70.97 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-O 120.697 0.285 . . . . 0.0 110.797 177.522 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1894 ' ' GLY . . . . . . . . . . . . . . . -58.19 -42.36 95.26 Favored Glycine 0 N--CA 1.449 -0.461 0 C-N-CA 120.967 -0.635 . . . . 0.0 112.008 179.436 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1895 ' ' ARG . . . . . . . . . . . . . 9.8 ttp180 -66.4 -45.19 80.8 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.84 -0.429 . . . . 0.0 109.84 179.107 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1896 ' ' LEU . . . . . 0.459 HD12 ' HB2' ' A' 1857 ' ' MET . 57.3 tp -55.95 -50.55 70.45 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.32 -179.757 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1897 ' ' ALA . . . . . . . . . . . . . . . -64.01 -25.59 68.19 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.342 -178.491 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1898 ' ' SER . . . . . . . . . . . . . 48.9 m -81.58 -21.4 38.41 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.36 0.6 . . . . 0.0 110.095 -176.879 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1899 ' ' GLN . . . . . 0.451 ' OE1' ' HA ' ' A' 1857 ' ' MET . 81.0 mt-30 -91.36 -9.67 44.0 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.267 -0.879 . . . . 0.0 109.778 178.754 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1900 ' ' ALA . . . . . . . . . . . . . . . -80.23 -39.66 28.62 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-N 115.442 -0.799 . . . . 0.0 111.46 -178.805 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1901 ' ' LYS . . . . . 0.427 ' HB3' ' HD3' ' A' 1902 ' ' PRO . 87.6 tttt -63.54 -57.3 20.38 Favored Pre-proline 0 CA--C 1.538 0.495 0 CA-C-N 116.162 -0.472 . . . . 0.0 112.125 -176.263 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1902 ' ' PRO . . . . . 0.522 ' HA ' HG22 ' A' 1905 ' ' VAL . 37.5 Cg_endo -65.56 -22.57 58.27 Favored 'Trans proline' 0 C--N 1.355 0.882 0 C-N-CA 121.902 1.735 . . . . 0.0 112.177 -178.785 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1903 ' ' ALA . . . . . 0.562 ' HB2' ' HB3' ' A' 1853 ' ' TYR . . . -72.13 -33.55 67.89 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.057 0.456 . . . . 0.0 110.437 177.23 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1904 ' ' ALA . . . . . 0.421 ' HB2' ' HD2' ' A' 1917 ' ' LYS . . . -76.87 -38.41 53.72 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.773 -0.649 . . . . 0.0 111.07 -176.62 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1905 ' ' VAL . . . . . 0.522 HG22 ' HA ' ' A' 1902 ' ' PRO . 29.5 m -75.64 -14.06 15.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.894 -179.693 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1906 ' ' ALA . . . . . . . . . . . . . . . -95.81 -25.41 16.05 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.956 0.407 . . . . 0.0 110.697 176.395 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1907 ' ' ALA . . . . . . . . . . . . . . . -67.1 116.61 8.1 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.65 -176.691 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1908 ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -75.67 -32.52 60.2 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.61 -0.723 . . . . 0.0 111.045 177.422 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1909 ' ' ASN . . . . . . . . . . . . . 40.9 t-20 -80.74 131.62 35.45 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.233 -177.37 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1910 ' ' GLU . . . . . . . . . . . . . 44.3 tt0 -52.69 -51.8 58.71 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.285 -0.87 . . . . 0.0 111.489 -178.737 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1911 ' ' GLU . . . . . . . . . . . . . 11.6 mt-10 -70.95 -37.19 72.81 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.805 -0.634 . . . . 0.0 112.053 -173.857 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1912 ' ' ILE . . . . . 0.552 ' O ' HG13 ' A' 1916 ' ' ILE . 56.0 mt -56.4 -53.29 42.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 C-N-CA 120.574 -0.45 . . . . 0.0 109.823 178.873 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1913 ' ' GLY . . . . . . . . . . . . . . . -62.74 -33.63 87.37 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.95 -0.643 . . . . 0.0 112.53 179.572 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1914 ' ' ALA . . . . . . . . . . . . . . . -73.31 -47.86 39.23 Favored 'General case' 0 C--N 1.329 -0.3 0 O-C-N 122.766 -0.255 . . . . 0.0 110.907 -178.438 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1915 ' ' HIS . . . . . 0.485 ' O ' ' HG2' ' A' 1919 ' ' ARG . 71.6 m-70 -60.01 -40.34 88.91 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.101 -177.704 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1916 ' ' ILE . . . . . 0.552 HG13 ' O ' ' A' 1912 ' ' ILE . 90.2 mt -52.52 -59.43 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 O-C-N 123.473 0.483 . . . . 0.0 111.393 -179.224 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1917 ' ' LYS . . . . . 0.581 ' HA ' HG22 ' A' 1920 ' ' VAL . 0.0 OUTLIER -71.02 -36.2 72.3 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 120.591 -0.444 . . . . 0.0 111.122 -178.968 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A 1918 ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -56.9 -41.32 77.89 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.689 0.281 . . . . 0.0 111.519 179.838 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1919 ' ' ARG . . . . . 0.485 ' HG2' ' O ' ' A' 1915 ' ' HIS . 31.6 mmt180 -76.9 -43.61 35.05 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.564 -0.289 . . . . 0.0 111.209 -178.197 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1920 ' ' VAL . . . . . 0.581 HG22 ' HA ' ' A' 1917 ' ' LYS . 28.8 m -71.89 -31.55 41.29 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.212 0 C-N-CA 120.958 -0.297 . . . . 0.0 111.507 -177.675 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1921 ' ' GLN . . . . . 0.56 ' HB2' ' O ' ' A' 1917 ' ' LYS . 0.0 OUTLIER -65.64 -44.64 85.79 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 109.145 -0.687 . . . . 0.0 109.145 177.369 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A 1922 ' ' GLU . . . . . 0.822 ' HB3' ' HD3' ' A' 1960 ' ' LYS . 12.8 mm-40 -69.16 -31.56 70.3 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.305 -0.861 . . . . 0.0 111.17 176.326 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1923 ' ' LEU . . . . . 0.438 ' HB2' ' HA ' ' A' 1920 ' ' VAL . 21.3 mt -65.48 -29.5 70.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.357 173.709 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1924 ' ' GLY . . . . . . . . . . . . . . . -62.15 -47.27 90.94 Favored Glycine 0 N--CA 1.447 -0.604 0 C-N-CA 120.824 -0.703 . . . . 0.0 111.416 174.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1925 ' ' HIS . . . . . . . . . . . . . 35.9 m170 -58.99 -47.17 86.12 Favored 'General case' 0 CA--C 1.519 -0.219 0 CA-C-O 120.939 0.399 . . . . 0.0 110.229 176.592 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1926 ' ' GLY . . . . . 0.405 ' O ' ' HB2' ' A' 1930 ' ' LEU . . . -62.29 -47.28 90.79 Favored Glycine 0 N--CA 1.449 -0.494 0 C-N-CA 120.883 -0.675 . . . . 0.0 112.211 179.701 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1927 ' ' CYS . . . . . 0.453 ' SG ' HD22 ' A' 1889 ' ' LEU . 38.9 t -58.9 -51.29 70.67 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.59 0.233 . . . . 0.0 110.672 178.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1928 ' ' SER . . . . . . . . . . . . . 20.4 t -63.01 -39.74 95.67 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.905 -176.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1929 ' ' ALA . . . . . . . . . . . . . . . -69.49 -45.74 68.25 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.614 0.245 . . . . 0.0 110.901 178.816 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1930 ' ' LEU . . . . . 0.405 ' HB2' ' O ' ' A' 1926 ' ' GLY . 0.5 OUTLIER -59.71 -48.63 80.92 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.703 -178.757 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A 1931 ' ' VAL . . . . . . . . . . . . . 32.7 m -64.66 -31.47 53.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 C-N-CA 121.074 -0.25 . . . . 0.0 111.229 -177.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1932 ' ' THR . . . . . . . . . . . . . 87.9 m -66.24 -42.47 88.56 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.029 0.442 . . . . 0.0 110.349 176.378 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1933 ' ' LYS . . . . . 0.422 ' HD3' ' HA ' ' A' 1933 ' ' LYS . 68.5 mmtt -73.05 -34.25 66.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.027 179.005 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1934 ' ' ALA . . . . . . . . . . . . . . . -60.73 -47.83 84.53 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 110.132 -0.321 . . . . 0.0 110.132 175.58 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1935 ' ' GLY . . . . . . . . . . . . . . . -69.62 -31.22 70.61 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.98 -0.628 . . . . 0.0 112.366 178.028 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1936 ' ' ALA . . . . . . . . . . . . . . . -67.14 -49.39 65.01 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.769 0.319 . . . . 0.0 110.907 178.484 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1937 ' ' LEU . . . . . 0.554 ' HB2' HG22 ' A' 1946 ' ' THR . 43.8 tp -67.4 -31.07 71.04 Favored 'General case' 0 CA--C 1.514 -0.433 0 CA-C-O 121.296 0.57 . . . . 0.0 109.668 178.313 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1938 ' ' GLN . . . . . 0.424 ' HA ' ' HB2' ' A' 1879 ' ' PRO . 10.5 tt0 -57.26 -39.38 75.5 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.138 -0.937 . . . . 0.0 110.571 178.565 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1939 ' ' CYS . . . . . . . . . . . . . 47.5 m -87.14 -13.26 44.63 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.692 -0.686 . . . . 0.0 111.601 -178.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1940 ' ' SER . . . . . . . . . . . . . 50.4 m -149.96 88.01 4.92 Favored Pre-proline 0 C--N 1.327 -0.402 0 CA-C-O 120.75 0.31 . . . . 0.0 111.562 -177.379 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1941 ' ' PRO . . . . . 0.834 ' HB3' ' HG3' ' A' 1879 ' ' PRO . 60.7 Cg_endo -74.48 -11.19 22.47 Favored 'Trans proline' 0 C--O 1.233 0.268 0 C-N-CA 122.622 2.214 . . . . 0.0 112.587 -179.671 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1942 ' ' SER . . . . . . . . . . . . . 31.0 m -86.96 -5.26 59.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.299 -178.262 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1943 ' ' ASP . . . . . . . . . . . . . 18.1 t70 -94.08 106.23 18.21 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.838 0.351 . . . . 0.0 110.162 -179.719 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1944 ' ' VAL . . . . . 0.494 ' O ' ' HG2' ' A' 1948 ' ' LYS . 8.2 p -70.82 -34.01 54.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.372 -176.032 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1945 ' ' TYR . . . . . 0.435 ' O ' ' HG3' ' A' 1949 ' ' GLU . 47.0 m-85 -59.21 -48.31 82.08 Favored 'General case' 0 CA--C 1.518 -0.274 0 CA-C-O 120.593 0.235 . . . . 0.0 111.024 -177.805 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1946 ' ' THR . . . . . 0.554 HG22 ' HB2' ' A' 1937 ' ' LEU . 88.5 m -57.31 -41.28 79.57 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.035 178.661 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1947 ' ' LYS . . . . . . . . . . . . . 27.4 ttpt -67.27 -42.72 83.38 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 110.137 -0.32 . . . . 0.0 110.137 179.055 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1948 ' ' LYS . . . . . 0.504 ' HE2' ' HA ' ' A' 1948 ' ' LYS . 9.3 mmpt? -58.31 -50.83 72.24 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.24 -0.436 . . . . 0.0 109.883 178.242 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1949 ' ' GLU . . . . . 0.435 ' HG3' ' O ' ' A' 1945 ' ' TYR . 37.5 mt-10 -62.34 -28.53 69.81 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.344 -178.709 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1950 ' ' LEU . . . . . . . . . . . . . 7.0 tt -62.89 -48.66 78.0 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 177.893 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1951 ' ' ILE . . . . . 0.511 HG13 ' HB ' ' A' 1872 ' ' VAL . 1.9 mp -64.72 -45.25 95.77 Favored 'Isoleucine or valine' 0 C--O 1.235 0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.197 175.566 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1952 ' ' GLU . . . . . 0.406 ' O ' ' HG3' ' A' 1956 ' ' ARG . 17.7 mm-40 -61.42 -26.76 68.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.784 -0.644 . . . . 0.0 112.09 -177.901 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1953 ' ' CYS . . . . . . . . . . . . . 10.2 t -86.38 -40.76 15.09 Favored 'General case' 0 C--N 1.322 -0.6 0 C-N-CA 121.054 -0.259 . . . . 0.0 110.419 179.432 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1954 ' ' ALA . . . . . . . . . . . . . . . -62.47 -42.45 99.49 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.25 -179.171 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1955 ' ' ARG . . . . . 0.42 HH11 ' HD3' ' A' 1955 ' ' ARG . 0.0 OUTLIER -62.72 -23.44 67.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.047 0.451 . . . . 0.0 110.75 -179.677 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A 1956 ' ' ARG . . . . . 0.406 ' HG3' ' O ' ' A' 1952 ' ' GLU . 64.3 mtp180 -73.99 -39.12 63.87 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.622 178.018 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1957 ' ' VAL . . . . . 0.624 ' O ' HG13 ' A' 1961 ' ' VAL . 8.8 m -86.32 -30.07 6.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.692 -174.181 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1958 ' ' SER . . . . . 0.448 ' O ' HG22 ' A' 1961 ' ' VAL . 15.5 p -65.94 -32.05 73.32 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.399 0.618 . . . . 0.0 110.476 179.526 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1959 ' ' GLU . . . . . . . . . . . . . 30.7 mm-40 -79.98 -28.66 39.5 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.296 0.569 . . . . 0.0 109.973 173.544 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1960 ' ' LYS . . . . . 0.822 ' HD3' ' HB3' ' A' 1922 ' ' GLU . 27.5 ttmt -74.79 -35.92 62.5 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.549 -0.75 . . . . 0.0 110.476 -176.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1961 ' ' VAL . . . . . 0.813 HG21 ' HB2' ' A' 1865 ' ' ALA . 14.8 m -66.22 -33.54 64.18 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.156 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 174.124 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1962 ' ' SER . . . . . 0.544 ' HA ' HD12 ' A' 1965 ' ' LEU . 44.5 m -68.37 -26.31 65.52 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.09 177.743 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1963 ' ' HIS . . . . . . . . . . . . . 60.1 m170 -76.61 -25.04 53.46 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.213 177.625 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1964 ' ' VAL . . . . . 0.58 ' O ' HD23 ' A' 1968 ' ' LEU . 91.3 t -68.88 -45.97 79.87 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.259 0 N-CA-C 108.796 -0.816 . . . . 0.0 108.796 171.027 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1965 ' ' LEU . . . . . 0.563 ' HG ' ' O ' ' A' 1961 ' ' VAL . 49.0 mt -53.39 -46.79 69.82 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.165 -0.925 . . . . 0.0 110.745 179.257 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1966 ' ' ALA . . . . . . . . . . . . . . . -71.62 -39.14 70.64 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.851 179.883 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1967 ' ' ALA . . . . . . . . . . . . . . . -59.6 -43.35 93.75 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-O 120.874 0.369 . . . . 0.0 111.94 -176.5 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1968 ' ' LEU . . . . . 0.674 ' HB3' ' HG3' ' A' 1854 ' ' GLN . 4.0 mm? -74.2 -19.15 60.63 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.947 -176.914 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1969 ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -96.76 15.8 20.94 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.983 0.42 . . . . 0.0 110.345 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1970 ' ' ALA . . . . . . . . . . . . . . . -90.09 166.17 13.57 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.787 179.463 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1971 ' ' GLY . . . . . . . . . . . . . . . 102.81 -129.92 10.06 Favored Glycine 0 N--CA 1.446 -0.676 0 C-N-CA 120.835 -0.698 . . . . 0.0 112.194 179.049 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1972 ' ' ASN . . . . . . . . . . . . . 44.7 t30 -114.51 -36.09 4.7 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.881 0.372 . . . . 0.0 110.691 -178.602 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1973 ' ' ARG . . . . . 0.502 ' NE ' ' HA ' ' A' 1973 ' ' ARG . 0.2 OUTLIER . . . . . 0 C--O 1.248 1.021 0 CA-C-O 118.644 -0.693 . . . . 0.0 110.498 -176.077 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1837 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.872 0 N-CA-C 112.019 -0.432 . . . . 0.0 112.019 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A 1838 ' ' ILE . . . . . 0.417 HD12 ' N ' ' A' 1838 ' ' ILE . 4.0 mp -97.92 102.06 12.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 N-CA-C 109.613 -0.514 . . . . 0.0 109.613 178.568 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1839 ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -105.39 157.82 33.59 Favored Pre-proline 0 C--N 1.322 -0.599 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.75 -176.841 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1840 ' ' PRO . . . . . . . . . . . . . 86.3 Cg_exo -46.62 -40.61 23.95 Favored 'Trans proline' 0 C--N 1.349 0.561 0 C-N-CA 123.719 2.946 . . . . 0.0 113.911 -176.563 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1841 ' ' PHE . . . . . . . . . . . . . 73.1 m-85 -118.1 33.49 5.61 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.742 0.306 . . . . 0.0 110.99 -177.111 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1842 ' ' THR . . . . . . . . . . . . . 34.9 p 58.93 27.55 16.4 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-N 115.445 -0.798 . . . . 0.0 112.637 173.539 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1843 ' ' MET . . . . . . . . . . . . . 67.9 mtm 64.35 -170.99 0.18 Allowed 'General case' 0 N--CA 1.468 0.425 0 CA-C-O 121.309 0.576 . . . . 0.0 111.645 177.248 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1844 ' ' GLY . . . . . . . . . . . . . . . -136.42 -107.07 0.84 Allowed Glycine 0 N--CA 1.444 -0.769 0 N-CA-C 110.753 -0.939 . . . . 0.0 110.753 176.263 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1845 ' ' ASP . . . . . . . . . . . . . 22.7 m-20 66.59 115.92 0.03 OUTLIER Pre-proline 0 N--CA 1.465 0.3 0 C-N-CA 123.025 0.53 . . . . 0.0 111.966 175.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1846 ' ' PRO . . . . . . . . . . . . . 21.9 Cg_exo -65.13 -19.14 63.0 Favored 'Trans proline' 0 C--N 1.341 0.138 0 C-N-CA 122.932 2.421 . . . . 0.0 112.025 -179.287 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1847 ' ' GLU . . . . . 0.403 ' H ' ' HG3' ' A' 1847 ' ' GLU . 0.0 OUTLIER -104.83 2.64 30.26 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.661 -0.699 . . . . 0.0 111.127 -178.029 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A 1848 ' ' GLY . . . . . . . . . . . . . . . 74.43 -99.29 1.08 Allowed Glycine 0 N--CA 1.451 -0.31 0 CA-C-N 115.967 -0.561 . . . . 0.0 112.087 179.237 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1849 ' ' SER . . . . . . . . . . . . . 2.9 p -141.86 52.49 1.5 Allowed 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.187 0.518 . . . . 0.0 110.584 175.273 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1850 ' ' PHE . . . . . . . . . . . . . 77.9 t80 -66.3 -28.07 68.4 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 108.726 -0.842 . . . . 0.0 108.726 173.459 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1851 ' ' VAL . . . . . . . . . . . . . 19.6 t -56.55 -44.61 81.17 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.918 0 CA-C-N 115.076 -0.965 . . . . 0.0 110.451 173.036 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1852 ' ' ASP . . . . . . . . . . . . . 15.2 t70 -59.82 -49.71 76.64 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.89 -0.595 . . . . 0.0 111.132 177.244 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1853 ' ' TYR . . . . . 0.516 ' O ' HG22 ' A' 1856 ' ' THR . 24.8 m-85 -63.28 -41.88 99.04 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.566 -179.713 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1854 ' ' GLN . . . . . 0.893 ' HG3' ' HB3' ' A' 1968 ' ' LEU . 6.2 tt0 -56.93 -57.1 13.98 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.646 176.909 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1855 ' ' THR . . . . . 0.576 ' O ' ' HG2' ' A' 1859 ' ' ARG . 35.0 m -57.19 -44.2 83.39 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.732 -0.667 . . . . 0.0 112.239 -174.647 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1856 ' ' THR . . . . . 0.516 HG22 ' O ' ' A' 1853 ' ' TYR . 14.2 t -62.41 -45.08 94.73 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 120.971 -0.292 . . . . 0.0 111.688 -175.343 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1857 ' ' MET . . . . . 0.5 ' HB2' HD12 ' A' 1896 ' ' LEU . 11.9 ptm -82.38 -24.08 34.65 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 120.722 -0.391 . . . . 0.0 111.792 -174.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1858 ' ' VAL . . . . . 0.465 HG13 ' O ' ' A' 1854 ' ' GLN . 27.4 m -73.42 -34.86 44.24 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.17 0 C-N-CA 119.799 -0.761 . . . . 0.0 109.986 174.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1859 ' ' ARG . . . . . 0.576 ' HG2' ' O ' ' A' 1855 ' ' THR . 37.0 mmt180 -61.55 -40.89 96.34 Favored 'General case' 0 N--CA 1.463 0.216 0 N-CA-C 109.255 -0.646 . . . . 0.0 109.255 172.636 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1860 ' ' THR . . . . . . . . . . . . . 32.8 m -66.3 -42.85 87.73 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.046 -0.979 . . . . 0.0 111.202 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1861 ' ' ALA . . . . . . . . . . . . . . . -59.4 -42.1 90.98 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.962 0.411 . . . . 0.0 110.76 178.585 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1862 ' ' LYS . . . . . . . . . . . . . 50.8 mttm -66.35 -38.19 87.04 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.303 178.111 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1863 ' ' ALA . . . . . . . . . . . . . . . -66.7 -38.01 85.87 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.775 177.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1864 ' ' ILE . . . . . 0.565 ' O ' HG13 ' A' 1868 ' ' VAL . 68.3 mt -64.39 -47.81 87.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.123 175.375 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1865 ' ' ALA . . . . . 0.784 ' HB2' HG21 ' A' 1961 ' ' VAL . . . -57.28 -49.52 75.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.973 -178.598 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1866 ' ' VAL . . . . . . . . . . . . . 12.3 p -64.58 -27.52 42.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 C-N-CA 120.787 -0.365 . . . . 0.0 110.67 -179.007 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1867 ' ' THR . . . . . 0.652 ' O ' ' HG3' ' A' 1871 ' ' MET . 85.4 m -66.51 -51.4 57.1 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-N 116.548 -0.296 . . . . 0.0 110.572 176.192 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1868 ' ' VAL . . . . . 0.565 HG13 ' O ' ' A' 1864 ' ' ILE . 1.6 m -65.17 -29.64 47.91 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.186 0 CA-C-O 121.745 0.784 . . . . 0.0 109.9 -178.835 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1869 ' ' GLN . . . . . . . . . . . . . 7.3 tp-100 -74.25 -27.04 60.57 Favored 'General case' 0 N--CA 1.425 -1.722 0 CA-C-N 114.779 -1.101 . . . . 0.0 110.225 179.853 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1870 ' ' GLU . . . . . 0.524 ' O ' ' HG2' ' A' 1874 ' ' LYS . 30.7 mt-10 -74.61 -39.62 62.05 Favored 'General case' 0 C--O 1.221 -0.406 0 N-CA-C 109.726 -0.472 . . . . 0.0 109.726 169.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1871 ' ' MET . . . . . 0.652 ' HG3' ' O ' ' A' 1867 ' ' THR . 43.4 mtp -56.03 -42.1 75.98 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.207 -177.643 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1872 ' ' VAL . . . . . 0.468 HG12 HG12 ' A' 1951 ' ' ILE . 15.6 m -72.31 -32.15 41.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.785 0.326 . . . . 0.0 111.47 177.643 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1873 ' ' THR . . . . . . . . . . . . . 90.0 m -71.94 -38.11 69.87 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.218 0.533 . . . . 0.0 110.38 178.254 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1874 ' ' LYS . . . . . 0.524 ' HG2' ' O ' ' A' 1870 ' ' GLU . 73.0 mmtt -68.49 -61.02 2.01 Favored 'General case' 0 C--O 1.214 -0.764 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.333 175.437 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1875 ' ' SER . . . . . . . . . . . . . 19.7 p -49.24 -28.91 5.06 Favored 'General case' 0 N--CA 1.472 0.637 0 N-CA-C 113.715 1.006 . . . . 0.0 113.715 -169.718 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1876 ' ' ASN . . . . . 0.435 ' HA ' ' HD2' ' A' 1947 ' ' LYS . 7.7 m-80 -58.37 -41.7 85.34 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 111.654 0.242 . . . . 0.0 111.654 178.637 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1877 ' ' THR . . . . . . . . . . . . . 53.1 p -121.51 -23.31 5.66 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.419 0.628 . . . . 0.0 111.539 -177.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1878 ' ' SER . . . . . . . . . . . . . 12.6 m -122.63 105.32 35.86 Favored Pre-proline 0 N--CA 1.439 -1.001 0 CA-C-N 115.237 -0.892 . . . . 0.0 111.853 -166.305 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1879 ' ' PRO . . . . . 0.539 ' HA ' HD12 ' A' 1882 ' ' LEU . 6.3 Cg_exo -79.85 -31.78 1.75 Allowed 'Trans proline' 0 N--CA 1.454 -0.837 0 C-N-CA 122.444 2.096 . . . . 0.0 111.167 172.608 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1880 ' ' GLU . . . . . . . . . . . . . 19.9 mt-10 -71.23 -41.91 69.56 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.041 -0.981 . . . . 0.0 111.118 -172.259 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1881 ' ' GLU . . . . . 0.435 ' CB ' ' HD2' ' A' 1874 ' ' LYS . 12.3 mm-40 -62.42 -14.96 46.28 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.534 -0.757 . . . . 0.0 111.814 -177.711 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1882 ' ' LEU . . . . . 0.539 HD12 ' HA ' ' A' 1879 ' ' PRO . 50.2 mt -76.32 -16.93 59.66 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.647 -177.141 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1883 ' ' GLY . . . . . 0.422 ' HA2' ' NE2' ' A' 1938 ' ' GLN . . . -64.72 -61.65 5.71 Favored Glycine 0 N--CA 1.453 -0.188 0 C-N-CA 120.818 -0.706 . . . . 0.0 112.684 178.925 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1884 ' ' PRO . . . . . . . . . . . . . 16.1 Cg_endo -59.4 -33.18 97.49 Favored 'Trans proline' 0 N--CA 1.461 -0.395 0 C-N-CA 122.449 2.099 . . . . 0.0 112.255 177.746 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1885 ' ' LEU . . . . . 0.443 ' HB3' ' HG2' ' A' 1871 ' ' MET . 69.6 mt -70.41 -41.63 72.7 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 111.843 0.312 . . . . 0.0 111.843 -178.387 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1886 ' ' ALA . . . . . . . . . . . . . . . -62.82 -43.33 99.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.189 0.519 . . . . 0.0 110.404 179.071 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1887 ' ' ASN . . . . . . . . . . . . . 86.6 m-20 -65.47 -39.84 92.46 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.02 175.685 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1888 ' ' GLN . . . . . . . . . . . . . 31.1 tp60 -63.15 -48.11 79.86 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.283 -178.602 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1889 ' ' LEU . . . . . 0.487 HD12 ' SD ' ' A' 1871 ' ' MET . 0.7 OUTLIER -58.16 -47.82 82.2 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.412 0.625 . . . . 0.0 109.317 177.968 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A 1890 ' ' THR . . . . . . . . . . . . . 87.1 m -58.19 -41.99 85.14 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.272 -0.876 . . . . 0.0 111.454 179.752 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1891 ' ' SER . . . . . . . . . . . . . 50.7 m -64.63 -48.64 74.12 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.516 -179.46 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1892 ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -71.85 -27.76 63.1 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 112.156 0.428 . . . . 0.0 112.156 -174.659 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1893 ' ' TYR . . . . . . . . . . . . . 44.9 t80 -61.09 -38.41 86.2 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.382 -0.527 . . . . 0.0 110.44 176.673 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1894 ' ' GLY . . . . . . . . . . . . . . . -63.27 -33.63 87.78 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.813 -0.708 . . . . 0.0 111.872 177.154 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1895 ' ' ARG . . . . . . . . . . . . . 34.4 ttm180 -69.02 -37.45 78.64 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.11 0.481 . . . . 0.0 110.361 176.587 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1896 ' ' LEU . . . . . 0.514 HD11 HG11 ' A' 1964 ' ' VAL . 57.1 tp -71.43 -53.17 14.9 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.451 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1897 ' ' ALA . . . . . . . . . . . . . . . -63.71 -24.83 67.93 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.925 -0.58 . . . . 0.0 112.234 -173.385 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1898 ' ' SER . . . . . . . . . . . . . 8.8 p -79.87 -24.8 40.98 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.757 0.313 . . . . 0.0 111.001 -176.27 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1899 ' ' GLN . . . . . 0.487 ' HA ' ' OE1' ' A' 1899 ' ' GLN . 12.2 mm-40 -83.81 -11.64 56.75 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.589 179.873 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1900 ' ' ALA . . . . . . . . . . . . . . . -67.68 -24.17 65.38 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.681 176.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1901 ' ' LYS . . . . . 0.71 ' HB3' ' HD3' ' A' 1902 ' ' PRO . 24.1 tptm -75.22 -56.55 1.92 Allowed Pre-proline 0 CA--C 1.542 0.659 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.609 -178.767 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1902 ' ' PRO . . . . . 0.71 ' HD3' ' HB3' ' A' 1901 ' ' LYS . 23.3 Cg_exo -64.98 -30.25 57.06 Favored 'Trans proline' 0 C--N 1.358 1.073 0 C-N-CA 121.986 1.791 . . . . 0.0 112.156 -179.867 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1903 ' ' ALA . . . . . . . . . . . . . . . -70.57 -27.0 63.8 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.685 178.691 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1904 ' ' ALA . . . . . . . . . . . . . . . -77.42 -36.14 53.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.644 -178.435 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1905 ' ' VAL . . . . . 0.414 HG22 ' HA ' ' A' 1902 ' ' PRO . 34.4 m -83.63 -9.07 11.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.184 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1906 ' ' ALA . . . . . . . . . . . . . . . -107.87 1.58 22.83 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.208 0.528 . . . . 0.0 110.594 176.305 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1907 ' ' ALA . . . . . 0.463 ' HB1' ' HB ' ' A' 1912 ' ' ILE . . . -72.04 119.71 16.61 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.894 -179.453 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1908 ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -67.41 -43.53 81.04 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.226 0.536 . . . . 0.0 110.533 179.233 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1909 ' ' ASN . . . . . 0.772 ' HB2' HG13 ' A' 1912 ' ' ILE . 0.9 OUTLIER -97.39 156.2 16.57 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.552 -177.508 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A 1910 ' ' GLU . . . . . . . . . . . . . 30.9 tt0 -62.33 -51.94 65.64 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.969 -179.726 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1911 ' ' GLU . . . . . 0.441 ' HB3' ' CD2' ' A' 1915 ' ' HIS . 32.3 mt-10 -65.25 -28.25 69.22 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.711 -0.677 . . . . 0.0 112.387 -174.19 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1912 ' ' ILE . . . . . 0.772 HG13 ' HB2' ' A' 1909 ' ' ASN . 37.5 mt -56.85 -54.6 27.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 C-N-CA 120.37 -0.532 . . . . 0.0 110.004 -179.762 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1913 ' ' GLY . . . . . . . . . . . . . . . -65.56 -27.89 73.04 Favored Glycine 0 N--CA 1.453 -0.222 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.228 179.656 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1914 ' ' ALA . . . . . . . . . . . . . . . -71.43 -49.57 40.35 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.871 0.367 . . . . 0.0 110.206 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1915 ' ' HIS . . . . . 0.666 ' O ' ' HG2' ' A' 1919 ' ' ARG . 90.0 m-70 -65.92 -39.97 91.03 Favored 'General case' 0 N--CA 1.449 -0.503 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.156 -176.756 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1916 ' ' ILE . . . . . 0.568 HG13 ' O ' ' A' 1912 ' ' ILE . 99.1 mt -54.01 -57.96 4.6 Favored 'Isoleucine or valine' 0 C--O 1.235 0.298 0 CA-C-O 120.744 0.307 . . . . 0.0 111.373 179.837 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1917 ' ' LYS . . . . . . . . . . . . . 52.3 mtmt -67.03 -24.26 65.98 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.033 0.444 . . . . 0.0 111.177 -177.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1918 ' ' HIS . . . . . . . . . . . . . 32.9 t-80 -72.6 -48.68 37.77 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.604 179.38 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1919 ' ' ARG . . . . . 0.836 ' HD2' ' HB3' ' A' 1963 ' ' HIS . 28.4 mmt180 -69.68 -34.46 73.98 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.478 -173.135 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1920 ' ' VAL . . . . . . . . . . . . . 33.1 m -72.74 -24.86 21.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 121.088 0.471 . . . . 0.0 110.684 178.374 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1921 ' ' GLN . . . . . . . . . . . . . 10.1 tt0 -73.17 -34.09 65.82 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-O 121.161 0.505 . . . . 0.0 109.639 177.284 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1922 ' ' GLU . . . . . . . . . . . . . 53.7 mt-10 -61.3 -46.02 92.06 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.039 175.205 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1923 ' ' LEU . . . . . 0.697 ' HG ' ' HB3' ' A' 1960 ' ' LYS . 18.5 mt -64.15 -30.25 71.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.008 177.701 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1924 ' ' GLY . . . . . . . . . . . . . . . -57.2 -38.56 86.86 Favored Glycine 0 N--CA 1.453 -0.202 0 C-N-CA 120.999 -0.62 . . . . 0.0 112.214 178.659 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1925 ' ' HIS . . . . . . . . . . . . . 30.6 m170 -71.27 -54.39 11.06 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.032 0.444 . . . . 0.0 110.204 177.783 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1926 ' ' GLY . . . . . 0.44 ' HA3' HG12 ' A' 1957 ' ' VAL . . . -62.32 -44.84 97.1 Favored Glycine 0 N--CA 1.45 -0.43 0 CA-C-N 115.518 -0.765 . . . . 0.0 113.45 -174.674 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1927 ' ' CYS . . . . . . . . . . . . . 65.9 m -65.0 -41.88 95.0 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.886 0.343 . . . . 0.0 111.223 -176.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1928 ' ' SER . . . . . . . . . . . . . 9.6 t -67.87 -37.34 81.69 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.979 0.419 . . . . 0.0 110.386 -177.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1929 ' ' ALA . . . . . . . . . . . . . . . -72.1 -37.99 69.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.963 0.411 . . . . 0.0 110.619 177.651 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1930 ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -63.81 -49.86 71.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.757 -178.427 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1931 ' ' VAL . . . . . . . . . . . . . 29.6 m -64.79 -27.78 43.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.728 0.299 . . . . 0.0 111.239 -176.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1932 ' ' THR . . . . . . . . . . . . . 46.6 m -68.64 -43.88 75.35 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.866 0.365 . . . . 0.0 110.092 176.747 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1933 ' ' LYS . . . . . . . . . . . . . 43.4 mmtm -69.29 -37.53 77.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.685 176.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1934 ' ' ALA . . . . . . . . . . . . . . . -60.48 -44.1 96.27 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.542 176.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1935 ' ' GLY . . . . . . . . . . . . . . . -68.4 -39.37 87.43 Favored Glycine 0 N--CA 1.449 -0.494 0 C-N-CA 120.909 -0.662 . . . . 0.0 112.207 177.295 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1936 ' ' ALA . . . . . . . . . . . . . . . -64.27 -48.86 74.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.493 0.187 . . . . 0.0 111.233 -179.446 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1937 ' ' LEU . . . . . 0.558 ' HB2' HG22 ' A' 1946 ' ' THR . 49.7 tp -68.37 -26.54 65.63 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.264 0.554 . . . . 0.0 110.101 179.111 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1938 ' ' GLN . . . . . 0.422 ' NE2' ' HA2' ' A' 1883 ' ' GLY . 6.1 tt0 -65.6 -43.85 88.37 Favored 'General case' 0 N--CA 1.445 -0.683 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.338 179.583 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1939 ' ' CYS . . . . . . . . . . . . . 27.8 p -85.33 -17.84 35.6 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.834 -179.772 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1940 ' ' SER . . . . . . . . . . . . . 48.6 m -136.49 87.76 21.17 Favored Pre-proline 0 C--N 1.325 -0.46 0 CA-C-O 120.836 0.35 . . . . 0.0 111.221 -177.028 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1941 ' ' PRO . . . . . . . . . . . . . 85.3 Cg_endo -86.53 0.83 7.85 Favored 'Trans proline' 0 N--CA 1.463 -0.292 0 C-N-CA 122.905 2.403 . . . . 0.0 113.214 -177.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1942 ' ' SER . . . . . . . . . . . . . 33.6 t -92.88 -1.1 57.04 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.084 0.469 . . . . 0.0 110.116 -179.828 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1943 ' ' ASP . . . . . . . . . . . . . 13.8 t70 -106.4 107.84 19.05 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.419 -179.017 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1944 ' ' VAL . . . . . . . . . . . . . 9.9 p -74.96 -24.22 17.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.676 -177.068 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1945 ' ' TYR . . . . . 0.474 ' O ' ' HG3' ' A' 1949 ' ' GLU . 91.5 m-85 -70.34 -41.95 72.53 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.478 -175.877 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1946 ' ' THR . . . . . 0.558 HG22 ' HB2' ' A' 1937 ' ' LEU . 80.7 m -56.71 -42.79 79.79 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.154 173.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1947 ' ' LYS . . . . . 0.509 ' HA ' HD22 ' A' 1937 ' ' LEU . 30.7 ttpt -63.49 -42.67 98.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.168 177.783 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1948 ' ' LYS . . . . . 0.67 ' O ' ' HG2' ' A' 1952 ' ' GLU . 9.6 mmpt? -59.42 -54.61 44.68 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.335 179.415 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1949 ' ' GLU . . . . . 0.474 ' HG3' ' O ' ' A' 1945 ' ' TYR . 37.3 mt-10 -59.43 -36.38 75.79 Favored 'General case' 0 N--CA 1.462 0.167 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.264 -176.012 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1950 ' ' LEU . . . . . . . . . . . . . 9.6 tt -57.02 -52.69 64.28 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.045 177.064 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1951 ' ' ILE . . . . . 0.468 HG12 HG12 ' A' 1872 ' ' VAL . 63.2 mt -68.35 -37.97 78.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.83 -177.77 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1952 ' ' GLU . . . . . 0.67 ' HG2' ' O ' ' A' 1948 ' ' LYS . 26.7 mm-40 -61.6 -30.46 70.7 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-O 121.022 0.439 . . . . 0.0 110.287 178.503 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1953 ' ' CYS . . . . . . . . . . . . . 12.2 t -85.41 -43.4 13.67 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.961 -179.183 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1954 ' ' ALA . . . . . 0.518 ' O ' HG22 ' A' 1957 ' ' VAL . . . -57.06 -39.86 75.73 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.01 -0.541 . . . . 0.0 112.171 -175.473 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1955 ' ' ARG . . . . . 0.469 HH11 ' HD2' ' A' 1955 ' ' ARG . 10.3 ptp85 -64.93 -25.42 67.87 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.879 0.371 . . . . 0.0 111.177 -178.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1956 ' ' ARG . . . . . . . . . . . . . 71.0 mtp180 -77.9 -40.11 40.9 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.739 -176.412 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1957 ' ' VAL . . . . . 0.575 ' O ' HG13 ' A' 1961 ' ' VAL . 12.4 m -67.58 -29.83 46.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 116.488 -0.324 . . . . 0.0 110.876 -175.845 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1958 ' ' SER . . . . . 0.708 ' O ' HG22 ' A' 1961 ' ' VAL . 3.0 m -61.74 -24.29 66.71 Favored 'General case' 0 CA--C 1.53 0.18 0 CA-C-O 121.127 0.489 . . . . 0.0 110.549 177.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1959 ' ' GLU . . . . . . . . . . . . . 60.9 mm-40 -73.32 -38.92 65.63 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.057 0.456 . . . . 0.0 109.912 175.572 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1960 ' ' LYS . . . . . 0.697 ' HB3' ' HG ' ' A' 1923 ' ' LEU . 4.3 mptp? -69.09 -30.1 68.32 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.83 -177.91 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1961 ' ' VAL . . . . . 0.784 HG21 ' HB2' ' A' 1865 ' ' ALA . 1.9 m -66.08 -35.26 74.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 N-CA-C 109.44 -0.578 . . . . 0.0 109.44 176.916 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1962 ' ' SER . . . . . 0.634 ' HA ' HD12 ' A' 1965 ' ' LEU . 45.0 t -73.1 -29.05 62.63 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-N 115.581 -0.736 . . . . 0.0 109.363 175.745 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1963 ' ' HIS . . . . . 0.836 ' HB3' ' HD2' ' A' 1919 ' ' ARG . 50.0 m170 -67.24 -38.19 84.78 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.25 177.301 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1964 ' ' VAL . . . . . 0.514 HG11 HD11 ' A' 1896 ' ' LEU . 88.1 t -62.35 -44.17 98.92 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.317 0 N-CA-C 109.553 -0.536 . . . . 0.0 109.553 173.659 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1965 ' ' LEU . . . . . 0.634 HD12 ' HA ' ' A' 1962 ' ' SER . 70.7 mt -55.93 -46.34 78.52 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.771 178.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1966 ' ' ALA . . . . . . . . . . . . . . . -74.52 -27.72 60.66 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.766 -179.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1967 ' ' ALA . . . . . . . . . . . . . . . -70.16 -40.17 74.88 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.952 0.406 . . . . 0.0 110.822 179.786 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1968 ' ' LEU . . . . . 0.893 ' HB3' ' HG3' ' A' 1854 ' ' GLN . 4.4 mm? -77.64 -38.63 47.47 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.883 179.383 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1969 ' ' GLN . . . . . . . . . . . . . 48.6 mt-30 -83.06 38.84 0.61 Allowed 'General case' 0 C--O 1.235 0.291 0 CA-C-O 121.292 0.568 . . . . 0.0 110.613 179.113 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1970 ' ' ALA . . . . . . . . . . . . . . . -101.54 173.81 6.26 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.31 179.545 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1971 ' ' GLY . . . . . . . . . . . . . . . 98.04 -15.04 62.1 Favored Glycine 0 N--CA 1.448 -0.532 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.052 178.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1972 ' ' ASN . . . . . . . . . . . . . 19.4 m120 -90.83 -34.3 15.33 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.158 0.504 . . . . 0.0 110.193 179.85 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1973 ' ' ARG . . . . . . . . . . . . . 46.7 ttp180 . . . . . 0 C--O 1.25 1.116 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.034 177.594 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A 1837 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.595 0 N-CA-C 111.772 -0.531 . . . . 0.0 111.772 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A 1838 ' ' ILE . . . . . . . . . . . . . 51.4 mm -101.1 97.06 5.26 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-O 120.9 0.381 . . . . 0.0 110.231 178.564 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1839 ' ' ASP . . . . . 0.416 ' HA ' ' HD3' ' A' 1840 ' ' PRO . 1.1 m-20 -105.13 105.48 51.95 Favored Pre-proline 0 C--N 1.324 -0.539 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.367 178.693 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1840 ' ' PRO . . . . . 0.416 ' HD3' ' HA ' ' A' 1839 ' ' ASP . 8.2 Cg_exo -72.29 -18.32 26.74 Favored 'Trans proline' 0 N--CA 1.463 -0.28 0 C-N-CA 122.91 2.407 . . . . 0.0 111.902 -179.475 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1841 ' ' PHE . . . . . . . . . . . . . 84.4 m-85 -137.26 -178.72 5.34 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.899 -0.591 . . . . 0.0 109.552 179.725 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1842 ' ' THR . . . . . . . . . . . . . 58.6 p -100.63 0.35 39.04 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 120.665 0.269 . . . . 0.0 110.768 178.806 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1843 ' ' MET . . . . . . . . . . . . . 49.8 ttp 62.29 98.19 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.181 0 CA-C-N 115.552 -0.749 . . . . 0.0 111.664 179.063 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1844 ' ' GLY . . . . . . . . . . . . . . . -96.87 75.61 0.7 Allowed Glycine 0 N--CA 1.445 -0.726 0 C-N-CA 120.961 -0.638 . . . . 0.0 111.555 178.281 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1845 ' ' ASP . . . . . 0.454 ' HA ' ' HD3' ' A' 1846 ' ' PRO . 9.5 p-10 -64.87 122.78 81.19 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.248 0.547 . . . . 0.0 110.376 -178.508 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1846 ' ' PRO . . . . . 0.573 ' HB2' ' HB3' ' A' 1908 ' ' GLU . 6.3 Cg_exo -74.45 -27.72 10.89 Favored 'Trans proline' 0 N--CA 1.462 -0.363 0 C-N-CA 123.172 2.582 . . . . 0.0 113.491 -174.925 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1847 ' ' GLU . . . . . 0.806 ' HB2' ' HG2' ' A' 1908 ' ' GLU . 25.1 tt0 -111.29 43.15 1.53 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.249 0.547 . . . . 0.0 111.219 -174.113 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1848 ' ' GLY . . . . . 0.427 ' HA3' ' OD2' ' A' 1845 ' ' ASP . . . -103.39 -39.61 2.56 Favored Glycine 0 N--CA 1.45 -0.43 0 C-N-CA 120.539 -0.839 . . . . 0.0 112.716 -178.014 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1849 ' ' SER . . . . . . . . . . . . . 32.0 t -79.06 -7.88 58.49 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.478 0.656 . . . . 0.0 110.063 178.871 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1850 ' ' PHE . . . . . . . . . . . . . 73.6 t80 -55.08 -30.39 59.55 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.232 -0.895 . . . . 0.0 110.382 173.852 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1851 ' ' VAL . . . . . . . . . . . . . 3.5 m -66.15 -27.48 40.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.866 -0.607 . . . . 0.0 111.17 -177.682 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1852 ' ' ASP . . . . . . . . . . . . . 19.4 m-20 -63.24 -56.45 16.52 Favored 'General case' 0 CA--C 1.518 -0.264 0 CA-C-O 121.45 0.643 . . . . 0.0 109.912 179.312 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1853 ' ' TYR . . . . . 0.569 ' O ' ' HG2' ' A' 1857 ' ' MET . 35.4 m-85 -70.44 -35.28 73.27 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.122 -0.945 . . . . 0.0 110.193 -178.236 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1854 ' ' GLN . . . . . 0.852 ' HG3' ' HB3' ' A' 1968 ' ' LEU . 50.6 tt0 -52.83 -53.48 47.98 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.736 176.907 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1855 ' ' THR . . . . . 0.474 ' O ' ' HG2' ' A' 1859 ' ' ARG . 32.8 m -61.23 -42.86 99.35 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.792 -0.64 . . . . 0.0 112.102 -174.4 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1856 ' ' THR . . . . . 0.421 HG23 ' N ' ' A' 1857 ' ' MET . 9.2 t -69.91 -47.05 63.97 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 112.141 0.423 . . . . 0.0 112.141 -173.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1857 ' ' MET . . . . . 0.569 ' HG2' ' O ' ' A' 1853 ' ' TYR . 12.2 ptm -77.06 -23.61 51.98 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 120.783 -0.367 . . . . 0.0 111.843 -172.465 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1858 ' ' VAL . . . . . 0.442 HG13 ' O ' ' A' 1854 ' ' GLN . 25.7 m -72.75 -31.7 37.75 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.11 0 C-N-CA 119.772 -0.771 . . . . 0.0 109.613 173.507 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1859 ' ' ARG . . . . . 0.555 ' HA ' ' HD2' ' A' 1862 ' ' LYS . 23.5 mmm180 -71.74 -38.94 70.38 Favored 'General case' 0 C--N 1.332 -0.168 0 N-CA-C 109.741 -0.466 . . . . 0.0 109.741 174.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1860 ' ' THR . . . . . . . . . . . . . 31.8 m -62.73 -41.42 99.16 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.447 177.298 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1861 ' ' ALA . . . . . 0.405 ' HB1' ' HB ' ' A' 1961 ' ' VAL . . . -59.8 -40.53 88.69 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.922 177.748 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1862 ' ' LYS . . . . . 0.555 ' HD2' ' HA ' ' A' 1859 ' ' ARG . 44.0 mttm -64.86 -39.47 93.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.413 177.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1863 ' ' ALA . . . . . . . . . . . . . . . -64.33 -38.78 92.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.556 177.711 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1864 ' ' ILE . . . . . 0.622 ' O ' HG13 ' A' 1868 ' ' VAL . 79.2 mt -64.78 -48.5 84.24 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.031 174.615 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1865 ' ' ALA . . . . . 0.937 ' HB2' HG21 ' A' 1961 ' ' VAL . . . -56.29 -45.92 80.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.907 -0.588 . . . . 0.0 112.285 -177.853 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1866 ' ' VAL . . . . . . . . . . . . . 13.1 p -67.59 -32.03 55.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 C-N-CA 120.759 -0.376 . . . . 0.0 110.31 -179.411 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1867 ' ' THR . . . . . 0.667 ' O ' ' HG3' ' A' 1871 ' ' MET . 96.0 m -66.12 -50.65 63.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.538 178.232 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1868 ' ' VAL . . . . . 0.622 HG13 ' O ' ' A' 1864 ' ' ILE . 2.1 m -62.1 -30.73 49.37 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.233 0 CA-C-O 121.504 0.669 . . . . 0.0 110.053 -179.492 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1869 ' ' GLN . . . . . . . . . . . . . 9.0 tp-100 -76.08 -27.86 57.34 Favored 'General case' 0 N--CA 1.425 -1.721 0 CA-C-N 115.143 -0.935 . . . . 0.0 110.291 -179.009 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1870 ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -75.84 -40.05 55.53 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.132 172.144 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1871 ' ' MET . . . . . 0.667 ' HG3' ' O ' ' A' 1867 ' ' THR . 60.9 mtp -58.04 -45.62 86.7 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.989 -178.37 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1872 ' ' VAL . . . . . 0.449 HG12 ' HA ' ' A' 1951 ' ' ILE . 28.9 m -69.79 -33.62 56.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.432 179.389 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1873 ' ' THR . . . . . . . . . . . . . 89.4 m -68.37 -51.04 48.66 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.0 0.429 . . . . 0.0 110.384 177.109 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1874 ' ' LYS . . . . . . . . . . . . . 71.0 mmtt -62.34 -34.92 77.58 Favored 'General case' 0 C--O 1.217 -0.628 0 CA-C-N 115.46 -0.791 . . . . 0.0 111.689 -176.589 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1875 ' ' SER . . . . . 0.61 ' HA ' HD11 ' A' 1882 ' ' LEU . 93.2 p -55.58 -20.39 13.34 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 112.702 0.63 . . . . 0.0 112.702 -173.404 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1876 ' ' ASN . . . . . . . . . . . . . 48.1 m-80 -84.9 -24.3 28.53 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 111.522 0.194 . . . . 0.0 111.522 -177.459 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1877 ' ' THR . . . . . . . . . . . . . 50.0 p -120.29 -28.6 5.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.202 0.525 . . . . 0.0 111.818 -177.358 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1878 ' ' SER . . . . . . . . . . . . . 4.7 m -134.84 116.09 12.43 Favored Pre-proline 0 CA--C 1.506 -0.721 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.685 -171.678 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1879 ' ' PRO . . . . . 0.934 ' HA ' HD12 ' A' 1882 ' ' LEU . 6.2 Cg_exo -82.15 -29.21 1.66 Allowed 'Trans proline' 0 N--CA 1.445 -1.35 0 C-N-CA 121.93 1.754 . . . . 0.0 110.286 162.204 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1880 ' ' GLU . . . . . . . . . . . . . 69.0 mm-40 -56.56 -58.09 9.56 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.023 -0.989 . . . . 0.0 112.079 -176.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1881 ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -61.27 -13.91 22.34 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-N 116.155 -0.475 . . . . 0.0 112.261 -177.673 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1882 ' ' LEU . . . . . 0.934 HD12 ' HA ' ' A' 1879 ' ' PRO . 9.6 mt -72.7 -22.81 60.84 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 112.083 0.401 . . . . 0.0 112.083 -175.852 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1883 ' ' GLY . . . . . . . . . . . . . . . -66.14 -60.74 6.09 Favored Glycine 0 CA--C 1.517 0.197 0 C-N-CA 120.704 -0.76 . . . . 0.0 111.998 178.69 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1884 ' ' PRO . . . . . . . . . . . . . 11.3 Cg_endo -57.13 -37.37 98.36 Favored 'Trans proline' 0 C--N 1.346 0.417 0 C-N-CA 122.503 2.135 . . . . 0.0 112.428 175.507 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1885 ' ' LEU . . . . . 0.656 ' HB3' ' HG2' ' A' 1871 ' ' MET . 38.4 mt -61.51 -41.4 97.25 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-O 120.556 0.217 . . . . 0.0 111.38 179.494 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1886 ' ' ALA . . . . . . . . . . . . . . . -63.72 -45.81 88.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.977 0.418 . . . . 0.0 110.626 178.029 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1887 ' ' ASN . . . . . . . . . . . . . 57.8 t30 -63.94 -38.0 89.48 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.086 177.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1888 ' ' GLN . . . . . . . . . . . . . 31.6 tp60 -62.26 -50.65 70.87 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.343 -0.844 . . . . 0.0 111.059 -179.314 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1889 ' ' LEU . . . . . 0.589 HD22 ' SG ' ' A' 1927 ' ' CYS . 1.3 tt -57.65 -43.33 84.84 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 178.526 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1890 ' ' THR . . . . . . . . . . . . . 87.1 m -60.92 -45.03 96.27 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.277 -0.874 . . . . 0.0 111.904 -178.237 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1891 ' ' SER . . . . . . . . . . . . . 63.0 m -68.3 -44.2 75.97 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 111.945 0.35 . . . . 0.0 111.945 -177.05 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1892 ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -67.22 -29.33 68.95 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.993 -0.283 . . . . 0.0 111.287 -178.692 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1893 ' ' TYR . . . . . . . . . . . . . 50.1 t80 -61.39 -37.71 84.41 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 120.919 -0.312 . . . . 0.0 110.428 174.657 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1894 ' ' GLY . . . . . . . . . . . . . . . -60.23 -37.61 93.25 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.897 -0.668 . . . . 0.0 111.684 178.522 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1895 ' ' ARG . . . . . 0.474 ' O ' ' HG2' ' A' 1899 ' ' GLN . 73.3 ttt180 -66.26 -46.67 76.28 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.018 0.437 . . . . 0.0 110.179 176.23 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1896 ' ' LEU . . . . . 0.5 HD12 ' HB2' ' A' 1857 ' ' MET . 49.9 tp -57.08 -48.83 77.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.469 -0.787 . . . . 0.0 111.283 179.401 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1897 ' ' ALA . . . . . . . . . . . . . . . -63.96 -24.24 67.65 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.607 -178.059 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1898 ' ' SER . . . . . . . . . . . . . 44.9 t -80.44 -19.91 45.03 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.021 0.438 . . . . 0.0 110.099 -177.249 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1899 ' ' GLN . . . . . 0.474 ' HG2' ' O ' ' A' 1895 ' ' ARG . 62.6 mm-40 -89.15 -24.16 22.27 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.85 -0.614 . . . . 0.0 109.835 178.92 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1900 ' ' ALA . . . . . . . . . . . . . . . -65.24 -36.32 83.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.648 -178.524 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1901 ' ' LYS . . . . . 0.651 ' HB3' ' HD3' ' A' 1902 ' ' PRO . 0.4 OUTLIER -62.4 -58.24 18.33 Favored Pre-proline 0 CA--C 1.541 0.613 0 CA-C-N 116.416 -0.357 . . . . 0.0 111.702 -179.297 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A 1902 ' ' PRO . . . . . 0.651 ' HD3' ' HB3' ' A' 1901 ' ' LYS . 7.9 Cg_exo -72.34 -26.08 17.74 Favored 'Trans proline' 0 C--N 1.352 0.739 0 C-N-CA 121.778 1.652 . . . . 0.0 112.522 -176.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1903 ' ' ALA . . . . . . . . . . . . . . . -68.47 -31.23 70.36 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.978 0.418 . . . . 0.0 110.658 178.719 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1904 ' ' ALA . . . . . . . . . . . . . . . -71.35 -30.06 65.72 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.451 -177.708 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1905 ' ' VAL . . . . . . . . . . . . . 28.8 m -96.42 -13.06 8.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.828 178.548 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1906 ' ' ALA . . . . . . . . . . . . . . . -78.18 -37.5 45.61 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.092 176.552 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1907 ' ' ALA . . . . . 0.671 ' HA ' ' HG3' ' A' 1847 ' ' GLU . . . -71.82 146.72 47.82 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.113 175.726 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1908 ' ' GLU . . . . . 0.806 ' HG2' ' HB2' ' A' 1847 ' ' GLU . 9.3 pt-20 -97.71 -12.75 21.98 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 120.931 0.396 . . . . 0.0 110.275 -179.644 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1909 ' ' ASN . . . . . . . . . . . . . 46.4 t-20 -96.52 136.08 37.53 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.048 -0.524 . . . . 0.0 109.931 177.573 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1910 ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -55.37 -53.16 59.63 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.607 -0.724 . . . . 0.0 111.162 178.413 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1911 ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -60.04 -44.2 94.83 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.858 -172.779 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1912 ' ' ILE . . . . . 0.531 ' O ' HG13 ' A' 1916 ' ' ILE . 59.1 mt -57.19 -53.76 39.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-O 120.713 0.292 . . . . 0.0 110.541 -177.375 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1913 ' ' GLY . . . . . 0.542 ' HA2' HD12 ' A' 1916 ' ' ILE . . . -69.31 -24.89 75.88 Favored Glycine 0 N--CA 1.449 -0.498 0 C-N-CA 120.854 -0.689 . . . . 0.0 112.325 -179.272 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1914 ' ' ALA . . . . . . . . . . . . . . . -73.4 -50.07 23.74 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.706 0.289 . . . . 0.0 110.354 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1915 ' ' HIS . . . . . 0.543 ' O ' ' HG2' ' A' 1919 ' ' ARG . 84.3 m-70 -57.67 -40.68 79.92 Favored 'General case' 0 CA--C 1.516 -0.344 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.907 -178.72 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1916 ' ' ILE . . . . . 0.542 HD12 ' HA2' ' A' 1913 ' ' GLY . 99.7 mt -50.75 -52.03 18.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.799 177.5 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1917 ' ' LYS . . . . . . . . . . . . . 36.3 mtmm -71.43 -28.4 63.96 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.333 -176.663 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1918 ' ' HIS . . . . . . . . . . . . . 71.0 m-70 -74.54 -33.88 62.85 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.857 0.36 . . . . 0.0 111.169 178.813 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1919 ' ' ARG . . . . . 0.55 ' CD ' ' HB3' ' A' 1963 ' ' HIS . 28.2 mmt180 -80.92 -33.07 34.4 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.715 -175.145 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1920 ' ' VAL . . . . . . . . . . . . . 34.1 m -70.73 -27.47 30.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-O 121.253 0.549 . . . . 0.0 109.526 173.733 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1921 ' ' GLN . . . . . . . . . . . . . 29.9 tt0 -64.52 -40.98 96.64 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-N 115.437 -0.801 . . . . 0.0 110.079 176.077 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1922 ' ' GLU . . . . . 1.061 ' HB3' ' HD3' ' A' 1960 ' ' LYS . 30.3 mt-10 -58.18 -50.75 72.44 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.48 174.801 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1923 ' ' LEU . . . . . . . . . . . . . 40.8 mt -64.4 -32.37 73.96 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.603 -0.726 . . . . 0.0 111.64 -177.645 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1924 ' ' GLY . . . . . . . . . . . . . . . -59.73 -52.77 51.02 Favored Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 120.575 -0.822 . . . . 0.0 112.09 176.612 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1925 ' ' HIS . . . . . . . . . . . . . 39.8 m80 -68.43 -40.32 81.22 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.806 0.336 . . . . 0.0 110.635 -179.466 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1926 ' ' GLY . . . . . 0.41 ' HA3' HG12 ' A' 1957 ' ' VAL . . . -64.96 -40.67 97.33 Favored Glycine 0 N--CA 1.449 -0.446 0 C-N-CA 120.909 -0.663 . . . . 0.0 112.34 179.14 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1927 ' ' CYS . . . . . 0.589 ' SG ' HD22 ' A' 1889 ' ' LEU . 40.8 t -64.06 -47.17 81.21 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 110.377 -0.231 . . . . 0.0 110.377 178.679 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1928 ' ' SER . . . . . . . . . . . . . 12.6 t -59.28 -36.08 74.89 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.638 -178.638 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1929 ' ' ALA . . . . . . . . . . . . . . . -72.15 -46.58 55.91 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.849 0.357 . . . . 0.0 110.783 176.746 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1930 ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.94 -47.43 84.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.155 -176.833 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1931 ' ' VAL . . . . . . . . . . . . . 30.2 m -64.82 -27.79 43.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.701 0.286 . . . . 0.0 111.255 -177.116 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1932 ' ' THR . . . . . . . . . . . . . 55.6 m -72.59 -40.92 66.19 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.9 0.381 . . . . 0.0 110.083 176.08 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1933 ' ' LYS . . . . . . . . . . . . . 74.4 mmtt -68.82 -37.91 79.52 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.834 178.509 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1934 ' ' ALA . . . . . . . . . . . . . . . -60.6 -48.17 82.98 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.5 177.195 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1935 ' ' GLY . . . . . . . . . . . . . . . -65.35 -39.15 95.7 Favored Glycine 0 N--CA 1.449 -0.475 0 C-N-CA 120.895 -0.669 . . . . 0.0 111.765 177.483 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1936 ' ' ALA . . . . . . . . . . . . . . . -62.09 -44.43 96.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.483 0.183 . . . . 0.0 111.226 179.364 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1937 ' ' LEU . . . . . 0.403 ' CD2' ' HB2' ' A' 1875 ' ' SER . 35.0 tp -68.35 -32.18 72.09 Favored 'General case' 0 CA--C 1.513 -0.465 0 CA-C-O 120.943 0.401 . . . . 0.0 110.523 179.519 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1938 ' ' GLN . . . . . . . . . . . . . 36.1 tt0 -68.06 -26.61 65.93 Favored 'General case' 0 N--CA 1.446 -0.662 0 CA-C-O 121.2 0.524 . . . . 0.0 110.273 179.483 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1939 ' ' CYS . . . . . . . . . . . . . 62.2 m -83.38 -32.71 26.04 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.685 176.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1940 ' ' SER . . . . . . . . . . . . . 22.0 m -124.63 75.73 63.83 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.706 178.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1941 ' ' PRO . . . . . . . . . . . . . 26.9 Cg_exo -63.93 -24.65 67.41 Favored 'Trans proline' 0 C--N 1.345 0.345 0 C-N-CA 122.929 2.419 . . . . 0.0 113.438 -175.507 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1942 ' ' SER . . . . . . . . . . . . . 17.4 m -89.34 0.81 56.54 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.792 0.33 . . . . 0.0 111.483 -178.046 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1943 ' ' ASP . . . . . . . . . . . . . 19.4 t70 -93.71 110.4 22.03 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.919 0.39 . . . . 0.0 110.531 -178.079 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1944 ' ' VAL . . . . . . . . . . . . . 7.8 p -75.18 -28.01 20.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.845 -177.564 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1945 ' ' TYR . . . . . . . . . . . . . 77.0 m-85 -61.3 -47.74 84.57 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.297 -177.735 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1946 ' ' THR . . . . . . . . . . . . . 50.9 m -61.2 -40.13 92.8 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.396 -0.82 . . . . 0.0 110.925 177.346 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1947 ' ' LYS . . . . . . . . . . . . . 29.7 ttpt -66.16 -40.7 90.73 Favored 'General case' 0 N--CA 1.453 -0.283 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.195 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1948 ' ' LYS . . . . . 0.579 ' HE2' ' HA ' ' A' 1948 ' ' LYS . 9.4 mmpt? -57.48 -46.14 84.03 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.409 179.292 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1949 ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -62.31 -34.85 77.41 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.955 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1950 ' ' LEU . . . . . . . . . . . . . 6.4 tt -61.54 -49.42 76.74 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.623 -0.51 . . . . 0.0 109.623 178.387 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1951 ' ' ILE . . . . . 0.449 ' HA ' HG12 ' A' 1872 ' ' VAL . 1.8 mp -63.88 -44.13 97.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.47 177.649 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1952 ' ' GLU . . . . . 0.617 ' O ' ' HG3' ' A' 1956 ' ' ARG . 46.6 mt-10 -64.42 -30.57 71.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.411 -178.783 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1953 ' ' CYS . . . . . . . . . . . . . 33.5 t -81.32 -37.8 27.78 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.719 0.295 . . . . 0.0 110.897 179.759 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1954 ' ' ALA . . . . . . . . . . . . . . . -66.27 -36.46 83.03 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.837 0.351 . . . . 0.0 111.4 -178.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1955 ' ' ARG . . . . . 0.416 ' HG2' ' O ' ' A' 1952 ' ' GLU . 35.7 ptt180 -67.0 -25.15 66.16 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.795 0.331 . . . . 0.0 110.141 177.735 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1956 ' ' ARG . . . . . 0.617 ' HG3' ' O ' ' A' 1952 ' ' GLU . 89.2 mtt180 -74.82 -41.27 60.25 Favored 'General case' 0 C--O 1.219 -0.548 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.416 178.301 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1957 ' ' VAL . . . . . 0.556 ' O ' HG13 ' A' 1961 ' ' VAL . 11.9 m -80.83 -27.3 11.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 C-N-CA 120.674 -0.41 . . . . 0.0 111.545 -176.064 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1958 ' ' SER . . . . . 0.554 ' O ' HG22 ' A' 1961 ' ' VAL . 32.9 p -69.16 -24.02 64.02 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.622 0.248 . . . . 0.0 111.456 -176.446 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1959 ' ' GLU . . . . . 0.441 ' HG3' ' O ' ' A' 1956 ' ' ARG . 0.7 OUTLIER -80.39 -27.07 38.23 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 121.028 0.442 . . . . 0.0 110.254 170.921 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A 1960 ' ' LYS . . . . . 1.061 ' HD3' ' HB3' ' A' 1922 ' ' GLU . 52.7 mttm -76.84 -29.03 55.71 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.735 -176.533 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1961 ' ' VAL . . . . . 0.937 HG21 ' HB2' ' A' 1865 ' ' ALA . 3.2 m -66.14 -33.22 62.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 N-CA-C 108.714 -0.847 . . . . 0.0 108.714 171.848 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1962 ' ' SER . . . . . 0.681 ' HA ' HD12 ' A' 1965 ' ' LEU . 14.5 m -72.59 -25.67 61.41 Favored 'General case' 0 N--CA 1.45 -0.474 0 CA-C-N 115.204 -0.907 . . . . 0.0 109.877 176.434 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1963 ' ' HIS . . . . . 0.55 ' HB3' ' CD ' ' A' 1919 ' ' ARG . 65.6 m170 -72.77 -31.15 64.68 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.724 -0.671 . . . . 0.0 109.99 177.472 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1964 ' ' VAL . . . . . 0.423 ' O ' HD23 ' A' 1968 ' ' LEU . 91.7 t -65.76 -45.56 91.41 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.177 0 N-CA-C 108.745 -0.835 . . . . 0.0 108.745 172.06 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1965 ' ' LEU . . . . . 0.681 HD12 ' HA ' ' A' 1962 ' ' SER . 59.5 mt -54.51 -46.18 73.46 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.251 -0.886 . . . . 0.0 110.451 176.73 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1966 ' ' ALA . . . . . . . . . . . . . . . -69.36 -41.47 76.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.911 -179.589 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1967 ' ' ALA . . . . . . . . . . . . . . . -61.44 -44.95 96.22 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.894 0.378 . . . . 0.0 111.34 -179.776 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1968 ' ' LEU . . . . . 0.852 ' HB3' ' HG3' ' A' 1854 ' ' GLN . 4.3 mm? -72.41 -31.94 65.93 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.05 0.452 . . . . 0.0 110.847 179.761 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1969 ' ' GLN . . . . . . . . . . . . . 47.5 mt-30 -88.62 15.2 8.45 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.88 0.372 . . . . 0.0 110.982 178.862 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1970 ' ' ALA . . . . . . . . . . . . . . . -81.59 -14.14 57.13 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.15 176.575 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1971 ' ' GLY . . . . . . . . . . . . . . . -107.86 -49.52 0.83 Allowed Glycine 0 N--CA 1.449 -0.443 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.583 175.787 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1972 ' ' ASN . . . . . 0.748 ' HB2' HE22 ' A' 1854 ' ' GLN . 15.2 m120 -105.66 103.99 13.61 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 175.151 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1973 ' ' ARG . . . . . 0.425 ' HD2' ' N ' ' A' 1973 ' ' ARG . 2.5 mpt_? . . . . . 0 C--O 1.249 1.053 0 CA-C-O 118.437 -0.792 . . . . 0.0 110.152 -175.479 . . . . . . . . 1 1 . 1 stop_ save_